X-RAY CRYSTAL STRUCTURE FOR HUMAN MANGANESE SUPEROXIDE DISMUTASE, Q143A

entry_id	1em1
deposition_date	2000-03-14
title	X-RAY CRYSTAL STRUCTURE FOR HUMAN MANGANESE SUPEROXIDE DISMUTASE, Q143A
keywords	alpha-beta protein, metalloenzyme, OXIDOREDUCTASE; OXIDOREDUCTASE
method	X-RAY DIFFRACTION

rg_guinier	26.76 Å
rg_electron	26.28 Å
i0	32881700.00
molecular_weight	44594.0 kDa
excluded_volume	55740 ų
envelope_volume	67942 ų
shell_volume	21908 ų
envelope_diameter	86.4 Å
shell_rg	33.27 Å
envelope_rg	26.02 Å
shape_rg	26.27 Å
total_rg	27.07 Å
total_atoms	3150
n_residues	396
n_harmonics	20
q_range	— – 0.5000 Å−1
n_points	101
shell_type	directional
solvent_density	0.3340 e/ų
contrast_shell	0.0300 e/ų
crysol_version	4.1.3

dmax	83.6 Å
rg_real	26.87 Å
rg_real_error	0.58 Å
i0_real	3.2880e+07
i0_real_error	4.7000e+05
rg_reciprocal	26.84 Å
i0_reciprocal	32880000.0000
total_estimate	0.7008
solution_quality	REASONABLE a REASONABLE solution
n_peaks	2
r_peak_primary	24.1 Å
skewness	0.336
kurtosis	-0.697
angular_range	— – 0.2950 Å−1
current_alpha	0.0000
highest_alpha	5779000.0000
n_real_points	60
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.920; Stabil: 1.000; Sysdev: 0.199; Positv: 1.000; Valcen: 0.844; Smooth: 0.907

Unit Cell

length_a	79.643 Å
length_b	79.643 Å
length_c	241.642 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	120.00 °
z_pdb	24

Symmetry

space_group	P 61 2 2
int_tables_number	178
crystal_system	—

Refinement

resolution	2.130 Å
resolution_low	19.790 Å
r_factor	0.2320
r_work	0.2320
r_free	0.2640

Diffraction

temperature

100.0 K

Files (7)

• pr_distribution /app/data/pr_computation/em/1em1/pr_distribution.json
• pr_output /app/data/pr_computation/em/1em1/1em1.pr.out
• pr_plot /app/data/visualization/pr_computation/em/1em1/1em1_pr_distribution.png
• saxs_curve_dat /app/data/saxs_computation/em/1em1/1em1.dat
• saxs_fit /app/data/saxs_computation/em/1em1/1em1.fit
• saxs_log /app/data/saxs_computation/em/1em1/1em1.log
• saxs_plot /app/data/visualization/saxs_computation/em/1em1/1em1_saxs_profile.png

Curves (3)

fit	/app/data/saxs_computation/em/1em1/1em1.fit
pddf	/app/data/pr_computation/em/1em1/1em1.pr.out
profile	/app/data/saxs_computation/em/1em1/1em1.dat