4Z42
Crystal structure of urease from Yersinia enterocolitica
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-07-27 |
Detector | RIGAKU SATURN 944+ |
Wavelength(s) | 1.54187 |
Spacegroup name | H 3 2 |
Unit cell lengths | 157.200, 157.200, 774.620 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 29.710 - 3.010 |
R-factor | 0.278 |
Rwork | 0.277 |
R-free | 0.29760 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1fwb |
RMSD bond length | 0.008 |
RMSD bond angle | 0.940 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | BUSTER (2.10.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 43.300 | 3.190 |
High resolution limit [Å] | 3.010 | 3.010 |
Rmerge | 0.061 | 1.480 |
Number of reflections | 84998 | |
<I/σ(I)> | 8.5 | 1.8 |
Completeness [%] | 99.6 | 96.4 |
Redundancy | 4.7 | 10.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 0.2M MgCl2, 0.1M Sodium HEPES pH 7.5, 30%(v/v) PEG 400 |