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 |
