1OE3
Atomic resolution structure of 'Half Apo' NiR
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SRS BEAMLINE PX9.6 |
| Synchrotron site | SRS |
| Beamline | PX9.6 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2000-05-15 |
| Detector | ADSC CCD |
| Spacegroup name | P 63 |
| Unit cell lengths | 79.243, 79.243, 99.679 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 50.000 - 1.150 |
| R-factor | 0.1161 |
| R-free | 0.14820 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.016 |
| RMSD bond angle | 0.032 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SHELX |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 60.000 | 1.170 |
| High resolution limit [Å] | 1.150 | 1.150 |
| Rmerge | 0.033 | 0.283 |
| Number of reflections | 110729 | |
| <I/σ(I)> | 27.3 | 2 |
| Completeness [%] | 92.9 | 61.2 |
| Redundancy | 11.9 | 1.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.5 | 40% PEG MME 550, 0.1M MES PH 6.5, 10MM ZNSO4 |
