4GRJ
Crystal structure of nitrophorin 4 triple mutant complex with NO
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 | 69.640, 69.640, 141.100 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 60.310 - 1.150 |
R-factor | 0.1616 |
Rwork | 0.160 |
R-free | 0.18533 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 4gnw |
RMSD bond length | 0.015 |
RMSD bond angle | 1.600 |
Data reduction software | CrystalClear |
Data scaling software | CrystalClear |
Phasing software | REFMAC |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 60.310 | 1.190 |
High resolution limit [Å] | 1.150 | 1.150 |
Rmerge | 0.038 | 0.540 |
Number of reflections | 136529 | |
<I/σ(I)> | 12.1 | 2.4 |
Completeness [%] | 96.6 | 98 |
Redundancy | 4.9 | 4.8 |
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 |