ANALYSIS OF A MUTATIONAL HOT-SPOT IN THE ECORV RESTRICTION ENDONUCLEASE: A CATALYTIC ROLE FOR A MAIN CHAIN CARBONYL GROUP

entry_id	1b96
deposition_date	1999-02-19
title	ANALYSIS OF A MUTATIONAL HOT-SPOT IN THE ECORV RESTRICTION ENDONUCLEASE: A CATALYTIC ROLE FOR A MAIN CHAIN CARBONYL GROUP
keywords	ENDONUCLEASE, RESTRICTION, ECORV, HYDROLASE-DNA COMPLEX; HYDROLASE/DNA
method	X-RAY DIFFRACTION

rg_guinier	24.07 Å
rg_electron	23.46 Å
i0	71765600.00
molecular_weight	63745.0 kDa
excluded_volume	78534 ų
envelope_volume	90081 ų
shell_volume	31117 ų
envelope_diameter	80.1 Å
shell_rg	31.34 Å
envelope_rg	23.65 Å
shape_rg	23.46 Å
total_rg	24.24 Å
total_atoms	4492
n_residues	510
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	77.7 Å
rg_real	23.94 Å
rg_real_error	0.37 Å
i0_real	7.1770e+07
i0_real_error	9.5650e+05
rg_reciprocal	23.97 Å
i0_reciprocal	71770000.0000
total_estimate	0.8882
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	30.3 Å
skewness	0.234
kurtosis	-0.343
angular_range	— – 0.3300 Å−1
current_alpha	0.0001
highest_alpha	16090000.0000
n_real_points	65
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.849; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.997; Smooth: 0.997

Unit Cell

length_a	48.350 Å
length_b	48.780 Å
length_c	63.640 Å
angle_alpha	96.61 °
angle_beta	108.94 °
angle_gamma	107.44 °
z_pdb	2

Symmetry

space_group	P 1
int_tables_number	1
crystal_system	—

Refinement

resolution	2.300 Å
resolution_low	12.500 Å
r_factor	—
r_work	0.1890
r_free	0.2820

Diffraction

temperature

100.0 K

Files (7)

• pr_distribution /app/data/pr_computation/b9/1b96/pr_distribution.json
• pr_output /app/data/pr_computation/b9/1b96/1b96.pr.out
• pr_plot /app/data/visualization/pr_computation/b9/1b96/1b96_pr_distribution.png
• saxs_curve_dat /app/data/saxs_computation/b9/1b96/1b96.dat
• saxs_fit /app/data/saxs_computation/b9/1b96/1b96.fit
• saxs_log /app/data/saxs_computation/b9/1b96/1b96.log
• saxs_plot /app/data/visualization/saxs_computation/b9/1b96/1b96_saxs_profile.png

Curves (3)

fit	/app/data/saxs_computation/b9/1b96/1b96.fit
pddf	/app/data/pr_computation/b9/1b96/1b96.pr.out
profile	/app/data/saxs_computation/b9/1b96/1b96.dat