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1bo8

THYMIDYLATE SYNTHASE R178T MUTANT

Method: X-RAY DIFFRACTION D_max: 65.9 Å Quality: EXCELLENT

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1bo8
deposition_date	1998-08-10
title	THYMIDYLATE SYNTHASE R178T MUTANT
keywords	TRANSFERASE, METHYLTRANSFERASE, NUCLEOTIDE BIOSYNTHESIS; 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	21.44 Å
rg_electron	20.08 Å
i0	22479100.00
molecular_weight	36858.0 kDa
excluded_volume	46342 Å³
envelope_volume	53757 Å³
shell_volume	22237 Å³
envelope_diameter	67.0 Å
shell_rg	26.72 Å
envelope_rg	20.13 Å
shape_rg	20.07 Å
total_rg	21.02 Å
total_atoms	2610
n_residues	316
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	65.9 Å
rg_real	21.28 Å
rg_real_error	0.36 Å
i0_real	2.2480e+07
i0_real_error	2.9030e+05
rg_reciprocal	21.31 Å
i0_reciprocal	22480000.0000
total_estimate	0.9052
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	2
r_peak_primary	28.1 Å
skewness	0.096
kurtosis	-0.479
angular_range	— – 0.3700 Å⁻¹
current_alpha	0.0000
highest_alpha	3037000.0000
n_real_points	69
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.927; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.989; Smooth: 0.993

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	THYMIDYLATE SYNTHASE
formula_weight	36574.4 kDa
ec_number	2.1.1.45
mutation	R178T
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	2676

MLEQPYLDLAKKVLDEGHFKPDRTHTGTYSIFGHQMRFDLSKGFPLLTTKKVPFGLIKSELLWFLHGDTNIRFLLQHRNHIWDEWAFEKWVKSDEYHGPDMTDFGHRSQKDPEFAAVYHEEMAKFDDRVLHDDAFAAKYGDLGLVYGSQWRAWHTSKGDTIDQLGDVIEQIKTHPYSTRLIVSAWNPEDVPTMALPPCHTLYQFYVNDGKLSLQLYQRSADIFLGVPFNIASYALLTHLVAHECGLEVGEFIHTFGDAHLYVNHLDQIKEQLSRTPRPAPTLQLNPDKHDIFDFDMKDIKLLNYDPYPAIKAPVAV

Source

organism	Lactobacillus casei
ncbi_taxonomy_id	1582
host_organism	Escherichia coli

Entity 2 non-polymer

description	POTASSIUM ION
formula_weight	39.1 kDa
src_method	syn
entity_count	1

Entity 3 non-polymer

description	URIDINE-5'-MONOPHOSPHATE
formula_weight	324.2 kDa
src_method	syn
entity_count	1

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	66

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6. Citations (4)

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length_a	78.500 Å
length_b	78.500 Å
length_c	241.700 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	120.00 °
z_pdb	12

space_group	P 61 2 2
int_tables_number	178
crystal_system	—

resolution	2.400 Å
resolution_low	7.000 Å
r_factor	0.1960
r_work	0.1960
r_free	0.2730

fit	/app/data/saxs_computation/bo/1bo8/1bo8.fit
pddf	/app/data/pr_computation/bo/1bo8/1bo8.pr.out
profile	/app/data/saxs_computation/bo/1bo8/1bo8.dat

THYMIDYLATE SYNTHASE R178T MUTANT

SAXS Profile

P(r) Distribution

1. Structure Basics

Download Data

2. SAXS Parameters (CRYSOL)

3. P(r) Analysis (GNOM)

4. Crystallography & Experiment

Unit Cell

Symmetry

Refinement

Diffraction