7ZVA
Crystal Structure of the native zymogen form of the glutamic-class prolyl-endopeptidase neprosin at 1.80 A resolution.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04-1 |
Synchrotron site | Diamond |
Beamline | I04-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-03-02 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 1.0050 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 86.370, 92.620, 42.690 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 23.160 - 1.800 |
R-factor | 0.1824 |
Rwork | 0.182 |
R-free | 0.21780 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7zu8 |
RMSD bond length | 0.008 |
RMSD bond angle | 0.990 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | BUSTER (2.10.4 (20-OCT-2021)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 63.200 | 1.864 |
High resolution limit [Å] | 1.800 | 1.800 |
Number of reflections | 32321 | 2996 |
<I/σ(I)> | 15.3 | |
Completeness [%] | 99.3 | |
Redundancy | 12.6 | |
CC(1/2) | 0.999 | 0.710 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.1 M sodium acetate pH 4.0, 22% PEG 6000, 10% isopropanol |