3G4Z
Crystal Structure of NiSOD Y9F mutant at 1.9 A
Experimental procedure
| Experimental method | SINGLE WAVELENGTH WITH ANOMALOUS |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X6A |
| Synchrotron site | NSLS |
| Beamline | X6A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-08-14 |
| Detector | ADSC |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 59.876, 111.577, 111.553 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.910 - 1.870 |
| R-factor | 0.186 |
| Rwork | 0.183 |
| R-free | 0.25400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.467 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.900 | 1.940 |
| High resolution limit [Å] | 1.870 | 1.870 |
| Number of reflections | 29628 | |
| <I/σ(I)> | 42.1 | 3 |
| Completeness [%] | 95.3 | 91 |
| Redundancy | 7.1 | 5.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.5 | 293 | PEG 550 MME, Bis-Tris, pH 6.5, VAPOR DIFFUSION, temperature 293K |
