4EXH
The crystal structure of xmrv protease complexed with acetyl-pepstatin
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-ID |
Synchrotron site | APS |
Beamline | 22-ID |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2011-10-20 |
Detector | MAR scanner 300 mm plate |
Wavelength(s) | 1.000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 46.314, 65.210, 69.468 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.540 - 2.000 |
R-factor | 0.19787 |
Rwork | 0.196 |
R-free | 0.23808 |
Structure solution method | FOURIER SYNTHESIS |
RMSD bond length | 0.010 |
RMSD bond angle | 1.330 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.030 |
High resolution limit [Å] | 2.000 | 2.000 |
Number of reflections | 14051 | |
<I/σ(I)> | 20.1 | 3.3 |
Completeness [%] | 93.9 | 64.4 |
Redundancy | 5.5 | 2.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 293 | 3.5M naFormate, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |