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1eqb

;X-RAY CRYSTAL STRUCTURE AT 2.7 ANGSTROMS RESOLUTION OF TERNARY COMPLEX BETWEEN THE Y65F MUTANT OF E-COLI SERINE HYDROXYMETHYLTRANSFERASE, GLYCINE AND 5-FORMYL TETRAHYDROFOLATE ;

Method: X-RAY DIFFRACTION D_max: 121.5 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1eqb
deposition_date	2000-04-03
title	;X-RAY CRYSTAL STRUCTURE AT 2.7 ANGSTROMS RESOLUTION OF TERNARY COMPLEX BETWEEN THE Y65F MUTANT OF E-COLI SERINE HYDROXYMETHYLTRANSFERASE, GLYCINE AND 5-FORMYL TETRAHYDROFOLATE ;
keywords	Functional mutant, hydroxymethyltransferase, aat-like fold, one carbon metabolism, TRANSFERASE; TRANSFERASE
method	X-RAY DIFFRACTION

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Download Data

SAXS curve (.dat) P(r) distribution (.pr.out) Structure (CIF)

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2. SAXS Parameters (CRYSOL)

rg_guinier	37.37 Å
rg_electron	36.83 Å
i0	507683000.00
molecular_weight	182850.0 kDa
excluded_volume	228200 Å³
envelope_volume	270270 Å³
shell_volume	59262 Å³
envelope_diameter	132.1 Å
shell_rg	44.45 Å
envelope_rg	36.66 Å
shape_rg	36.79 Å
total_rg	37.37 Å
total_atoms	12875
n_residues	1667
n_harmonics	20
q_range	— – 0.5000 Å⁻¹
n_points	101
shell_type	directional
solvent_density	0.3340 e/Å³
contrast_shell	0.0300 e/Å³
crysol_version	4.1.3

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3. P(r) Analysis (GNOM)

dmax	121.5 Å
rg_real	37.29 Å
rg_real_error	0.81 Å
i0_real	5.0770e+08
i0_real_error	7.4540e+06
rg_reciprocal	37.34 Å
i0_reciprocal	507700000.0000
total_estimate	0.8939
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	43.4 Å
skewness	0.257
kurtosis	-0.458
angular_range	— – 0.2100 Å⁻¹
current_alpha	0.0000
highest_alpha	339800000.0000
n_real_points	43
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.907; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.999; Smooth: 0.897

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4. Crystallography & Experiment

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5. Entities & Polymer Info (5)

Entity 1 polymer

description	SERINE HYDROXYMETHYLTRANSFERASE
formula_weight	45356.5 kDa
ec_number	2.1.2.1
mutation	Y65F
src_method	man
entity_count	4

Polymer

type	polypeptide(L)
strand_id	A,B,C,D
atom_count	13171

MLKREMNIADYDAELWQAMEQEKVRQEEHIELIASENYTSPRVMQAQGSQLTNKYAEGYPGKRYFGGCEYVDIVEQLAIDRAKELFGADYANVQPHSGSQANFAVYTALLEPGDTVLGMNLAHGGHLTHGSPVNFSGKLYNIVPYGIDATGHIDYADLEKQAKEHKPKMIIGGFSAYSGVVDWAKMREIADSIGAYLFVDMAHVAGLVAAGVYPNPVPHAHVVTTTTHKTLAGPRGGLILAKGGSEELYKKLNSAVFPGGQGGPLMHVIAGKAVALKEAMEPEFKTYQQQVAKNAKAMVEVFLERGYKVVSGGTDNHLFLVDLVDKNLTGKEADAALGRANITVNKNSVPNDPKSPFVTSGIRVGTPAITRRGFKEAEAKELAGWMCDVLDSINDEAVIERIKGKVLDICARYPVYA

Source

organism	Escherichia coli
ncbi_taxonomy_id	562
host_organism	Escherichia coli

Entity 2 non-polymer

description	GLYCINE
formula_weight	75.1 kDa
src_method	syn
entity_count	4

Entity 3 non-polymer

description	PYRIDOXAL-5'-PHOSPHATE
formula_weight	247.1 kDa
src_method	syn
entity_count	4

Entity 4 non-polymer

description	N-[4-({[(6S)-2-amino-5-formyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoyl]-L-glutamic acid
formula_weight	473.4 kDa
src_method	syn
entity_count	4

Entity 5 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	287

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6. Citations (2)

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length_a	77.740 Å
length_b	172.480 Å
length_c	95.410 Å
angle_alpha	90.00 °
angle_beta	104.28 °
angle_gamma	90.00 °
z_pdb	8

space_group	P 1 21 1
int_tables_number	4
crystal_system	—

resolution	2.700 Å
resolution_low	20.000 Å
r_factor	0.2050
r_work	0.2050
r_free	0.2360

fit	/app/data/saxs_computation/eq/1eqb/1eqb.fit
pddf	/app/data/pr_computation/eq/1eqb/1eqb.pr.out
profile	/app/data/saxs_computation/eq/1eqb/1eqb.dat