2XBS
Raman crystallography of Hen White Egg Lysozyme - High X-ray dose (16 MGy)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-2 |
| Synchrotron site | ESRF |
| Beamline | ID14-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-05-22 |
| Detector | ADSC CCD |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 78.770, 78.770, 37.110 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 33.570 - 1.370 |
| R-factor | 0.14948 |
| Rwork | 0.147 |
| R-free | 0.19258 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1bwh |
| RMSD bond length | 0.065 |
| RMSD bond angle | 2.182 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 33.000 | 1.450 |
| High resolution limit [Å] | 1.370 | 1.370 |
| Rmerge | 0.060 | 0.520 |
| Number of reflections | 25118 | |
| <I/σ(I)> | 25.4 | 3.7 |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 12.8 | 7.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 4.6 | 75 MM SODIUM ACETATE PH 4.6, 1.0 M SODIUM CHLORIDE |
