4GNW
Crystal structure of nitrophorin 4 triple mutant complex with ammonia
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL9-2 |
| Synchrotron site | SSRL |
| Beamline | BL9-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-07-05 |
| Detector | MARMOSAIC 325 mm CCD |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 69.740, 69.740, 141.676 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 60.400 - 1.150 |
| R-factor | 0.1629 |
| Rwork | 0.162 |
| R-free | 0.18059 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1np4 |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.600 |
| Data reduction software | CrystalClear |
| Data scaling software | CrystalClear |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 60.400 | 1.190 |
| High resolution limit [Å] | 1.150 | 1.150 |
| Rmerge | 0.037 | 0.507 |
| Number of reflections | 140391 | |
| <I/σ(I)> | 13.6 | 1.6 |
| Completeness [%] | 98.8 | 91.6 |
| Redundancy | 4.9 | 2.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | 2.85 M ammonium phosphate, 100 mM Tris.HCl, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
