4XUI
Crystal structure analysis of cruzain bound to the no-covalent analog of WRR-483 (WRR-669)
Replaces: 4PI4Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.3.1 |
Synchrotron site | ALS |
Beamline | 8.3.1 |
Temperature [K] | 293 |
Detector technology | CCD |
Collection date | 2012-07-28 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.0000 |
Spacegroup name | P 32 |
Unit cell lengths | 101.200, 101.200, 64.900 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 29.504 - 2.508 |
R-factor | 0.1627 |
Rwork | 0.160 |
R-free | 0.18890 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3kku |
RMSD bond length | 0.009 |
RMSD bond angle | 1.247 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine: dev_1779)) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 30.000 |
High resolution limit [Å] | 2.500 |
Rmerge | 0.096 |
Number of reflections | 25397 |
<I/σ(I)> | 14.9 |
Completeness [%] | 99.1 |
Redundancy | 5.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 1.6 M Ammonium Sulfate, 0.1 M Sodium chloride and 0.1 M HEPES |