4WKX
Reversible S-Nitrosylation in an Engineered Mutant of Pseudomonas aeruginosa Azurin with Red Copper Site
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X29A |
Synchrotron site | NSLS |
Beamline | X29A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-07-24 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.0750 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 47.774, 47.774, 241.641 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 41.373 - 1.940 |
R-factor | 0.2007 |
Rwork | 0.198 |
R-free | 0.23480 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 1.031 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.010 |
High resolution limit [Å] | 1.940 | 4.180 | 1.940 |
Rmerge | 0.106 | 0.081 | 0.340 |
Total number of observations | 310962 | ||
Number of reflections | 24998 | ||
<I/σ(I)> | 9.5 | ||
Completeness [%] | 100.0 | 99.7 | 100 |
Redundancy | 12.4 | 12.3 | 12.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 277 | 25% PEG 4000, 100 mM LiNO3, 10 mM CuSO4 and 100 mM Tris |