2VLY
Crystal structure of myoglobin compound III (radiation-induced)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM1A |
| Synchrotron site | ESRF |
| Beamline | BM1A |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2007-11-17 |
| Detector | MARRESEARCH |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 63.760, 28.730, 35.440 |
| Unit cell angles | 90.00, 105.83, 90.00 |
Refinement procedure
| Resolution | 21.940 - 1.600 |
| R-factor | 0.169 |
| Rwork | 0.167 |
| R-free | 0.20900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1gjn |
| RMSD bond length | 0.056 |
| RMSD bond angle | 1.248 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | CNS |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 21.970 | 1.690 |
| High resolution limit [Å] | 1.500 | 1.600 |
| Rmerge | 0.080 | 0.450 |
| Number of reflections | 16256 | |
| <I/σ(I)> | 6.74 | 1.14 |
| Completeness [%] | 98.1 | 99.5 |
| Redundancy | 2.74 | 2.73 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.8 | CRYSTALLIZATION CONDITIONS: BATCH METHOD: 6-12 MG/ML MYOGLOBIN, 80-85% OF THE CRYSTALLIZATION STOCK-SOLUTION (3.9 M AMMONIUM SULPHATE, 0.1 M MOPS, 5-10% OF GLYCEROL PH 6.8) |
