3G50
Crystal Structure of NiSOD D3A 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 |
| Wavelength(s) | 0.9184 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 59.988, 112.274, 111.695 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 21.570 - 1.900 |
| R-factor | 0.18854 |
| Rwork | 0.186 |
| R-free | 0.23986 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.564 |
| 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] | 21.570 | 1.970 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Number of reflections | 29881 | |
| <I/σ(I)> | 41.6 | 2.3 |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 8 | 7.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 6.5 | 293 | PEG 550 MME, MgCl2, HEPES, pH 6.5, VAPOR DIFFUSION, temperature 293K |
