2YBN
Nitrate X-ray induced reduction on HEWL crystals (28.6 MGy)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-4 |
| Synchrotron site | ESRF |
| Beamline | ID14-4 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-05-10 |
| Detector | ADSC CCD |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 78.340, 78.340, 38.750 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 55.390 - 2.000 |
| R-factor | 0.22027 |
| Rwork | 0.219 |
| R-free | 0.24969 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2w1l |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.996 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0110) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 35.000 | 2.100 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.090 | 0.460 |
| Number of reflections | 8542 | |
| <I/σ(I)> | 5.6 | 1.1 |
| Completeness [%] | 99.4 | 98.8 |
| Redundancy | 6 | 5.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 4.7 | 200 MM SODIUM ACETATE BUFFER PH 4.7, 10% W/V NACL. |
