3G4X
Crystal Structure of NiSOD Y9F mutant
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2006-11-05 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 60.089, 112.568, 111.866 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.610 - 2.010 |
| R-factor | 0.17169 |
| Rwork | 0.168 |
| R-free | 0.23698 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1t6u |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.479 |
| 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] | 50.000 | 2.080 |
| High resolution limit [Å] | 2.010 | 2.010 |
| Number of reflections | 25440 | |
| <I/σ(I)> | 28 | 3.1 |
| Completeness [%] | 99.4 | 98.3 |
| Redundancy | 4.7 | 4.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 6.5 | 293 | PEG 550 MME, CaCl2, Bis-Tris, pH 6.5, VAPOR DIFFUSION, temperature 293K |
