5HWZ
Crystal structure of nitrophorin 4 D30N mutant with nitrite
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BESSY BEAMLINE 14.2 |
Synchrotron site | BESSY |
Beamline | 14.2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-10-23 |
Detector | RAYONIX MX225HE |
Wavelength(s) | 0.91841 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 69.779, 43.110, 52.623 |
Unit cell angles | 90.00, 94.54, 90.00 |
Refinement procedure
Resolution | 26.229 - 1.450 |
R-factor | 0.1504 |
Rwork | 0.149 |
R-free | 0.18030 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3mvf |
RMSD bond length | 0.006 |
RMSD bond angle | 1.064 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | PHENIX (2010_07_29_2140) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 26.230 | 1.490 |
High resolution limit [Å] | 1.450 | 1.450 |
Rmerge | 0.040 | 0.309 |
Number of reflections | 27719 | |
<I/σ(I)> | 19.5 | 4.3 |
Completeness [%] | 99.7 | 99.5 |
Redundancy | 3.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.4 | 277 | Potassium phosphate |