STRUCTURE OF CADMIUM-SUBSTITUTED PHOSPHOLIPASE A2 FROM AGKISTRONDON HALYS PALLAS AT 2.8 ANGSTROMS RESOLUTION

entry_id	1c1j
deposition_date	1999-07-22
title	STRUCTURE OF CADMIUM-SUBSTITUTED PHOSPHOLIPASE A2 FROM AGKISTRONDON HALYS PALLAS AT 2.8 ANGSTROMS RESOLUTION
keywords	VENOM, PHOSPHOLIPASE A2, CADMIUM, CATALYTIC MECHANISM, HYDROLASE; HYDROLASE
method	X-RAY DIFFRACTION

rg_guinier	24.47 Å
rg_electron	23.62 Å
i0	58940200.00
molecular_weight	56880.0 kDa
excluded_volume	69765 ų
envelope_volume	82907 ų
shell_volume	29142 ų
envelope_diameter	85.0 Å
shell_rg	30.99 Å
envelope_rg	23.71 Å
shape_rg	23.63 Å
total_rg	24.39 Å
total_atoms	3902
n_residues	488
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	82.2 Å
rg_real	24.34 Å
rg_real_error	0.52 Å
i0_real	5.8940e+07
i0_real_error	8.0490e+05
rg_reciprocal	24.37 Å
i0_reciprocal	58940000.0000
total_estimate	0.8712
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	32.6 Å
skewness	0.208
kurtosis	-0.271
angular_range	— – 0.3250 Å−1
current_alpha	0.0000
highest_alpha	10070000.0000
n_real_points	64
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.785; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.997; Smooth: 0.968

Unit Cell

length_a	100.180 Å
length_b	54.010 Å
length_c	108.490 Å
angle_alpha	90.00 °
angle_beta	111.59 °
angle_gamma	90.00 °
z_pdb	16

Symmetry

space_group	C 1 2 1
int_tables_number	5
crystal_system	—

Refinement

resolution	2.800 Å
resolution_low	8.000 Å
r_factor	—
r_work	0.2010
r_free	0.2820

Diffraction

temperature

280.0 K

Files (7)

• pr_distribution /app/data/pr_computation/c1/1c1j/pr_distribution.json
• pr_output /app/data/pr_computation/c1/1c1j/1c1j.pr.out
• pr_plot /app/data/visualization/pr_computation/c1/1c1j/1c1j_pr_distribution.png
• saxs_curve_dat /app/data/saxs_computation/c1/1c1j/1c1j.dat
• saxs_fit /app/data/saxs_computation/c1/1c1j/1c1j.fit
• saxs_log /app/data/saxs_computation/c1/1c1j/1c1j.log
• saxs_plot /app/data/visualization/saxs_computation/c1/1c1j/1c1j_saxs_profile.png

Curves (3)

fit	/app/data/saxs_computation/c1/1c1j/1c1j.fit
pddf	/app/data/pr_computation/c1/1c1j/1c1j.pr.out
profile	/app/data/saxs_computation/c1/1c1j/1c1j.dat