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1b02

CRYSTAL STRUCTURE OF THYMIDYLATE SYNTHASE A FROM BACILLUS SUBTILIS

Method: X-RAY DIFFRACTION D_max: 62.0 Å Quality: EXCELLENT

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1b02
deposition_date	1998-11-16
title	CRYSTAL STRUCTURE OF THYMIDYLATE SYNTHASE A FROM BACILLUS SUBTILIS
keywords	TRANSFERASE, METHYLTRANSFERASE; 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	20.00 Å
rg_electron	18.65 Å
i0	19618100.00
molecular_weight	33584.0 kDa
excluded_volume	41903 Å³
envelope_volume	47370 Å³
shell_volume	20821 Å³
envelope_diameter	62.9 Å
shell_rg	25.46 Å
envelope_rg	18.98 Å
shape_rg	18.64 Å
total_rg	19.61 Å
total_atoms	2369
n_residues	279
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	62.0 Å
rg_real	19.85 Å
rg_real_error	0.26 Å
i0_real	1.9620e+07
i0_real_error	2.2860e+05
rg_reciprocal	19.88 Å
i0_reciprocal	19620000.0000
total_estimate	0.9008
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	2
r_peak_primary	25.7 Å
skewness	0.150
kurtosis	-0.417
angular_range	— – 0.3950 Å⁻¹
current_alpha	0.0000
highest_alpha	3770000.0000
n_real_points	71
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.909; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.986; Smooth: 0.993

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	PROTEIN (THYMIDYLATE SYNTHASE)
formula_weight	32848.2 kDa
ec_number	2.1.1.45
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	2453

MTQFDKQYNSIIKDIINNGISDEEFDVRTKWDSDGTPAHTLSVISKQMRFDNSEVPILTTKKVAWKTAIKELLWIWQLKSNDVNDLNMMGVHIWDQWKQEDGTIGHAYGFQLGKKNRSLNGEKVDQVDYLLHQLKNNPSSRRHITMLWNPDELDAMALTPCVYETQWYVKHGKLHLEVRARSNDMALGNPFNVFQYNVLQRMIAQVTGYELGEYIFNIGDCHVYTRHIDNLKIQMEREQFEAPELWINPEVKDFYDFTIDDFKLINYKHGDKLLFEVAV

Source

organism	Bacillus subtilis
ncbi_taxonomy_id	1423
host_organism	Escherichia coli

Entity 2 non-polymer

description	5-FLUORO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE
formula_weight	326.2 kDa
src_method	syn
entity_count	1

Entity 3 non-polymer

description	5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID
formula_weight	459.5 kDa
src_method	syn
entity_count	1

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	84

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6. Citations (1)

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length_a	55.570 Å
length_b	105.010 Å
length_c	117.260 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	8

space_group	P 21 21 21
int_tables_number	19
crystal_system	—

resolution	2.500 Å
resolution_low	100.000 Å
r_factor	—
r_work	0.1940
r_free	0.2330

fit	/app/data/saxs_computation/b0/1b02/1b02.fit
pddf	/app/data/pr_computation/b0/1b02/1b02.pr.out
profile	/app/data/saxs_computation/b0/1b02/1b02.dat

CRYSTAL STRUCTURE OF THYMIDYLATE SYNTHASE A FROM BACILLUS SUBTILIS

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