2V1I
Crystal structure of radiation-induced metmyoglobin - aqua ferrous myoglobin at pH 6.8
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-3 |
| Synchrotron site | ESRF |
| Beamline | ID14-3 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2001-04-30 |
| Detector | ADSC CCD |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 62.872, 28.762, 35.347 |
| Unit cell angles | 90.00, 106.13, 90.00 |
Refinement procedure
| Resolution | 21.950 - 1.200 |
| R-factor | 0.139 |
| Rwork | 0.137 |
| R-free | 0.16800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1gjn |
| RMSD bond length | 0.054 |
| RMSD bond angle | 0.961 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 22.000 | 1.230 |
| High resolution limit [Å] | 1.200 | 1.200 |
| Rmerge | 0.050 | 0.340 |
| Number of reflections | 36225 | |
| <I/σ(I)> | 16.4 | 3.4 |
| Completeness [%] | 94.0 | 86.6 |
| Redundancy | 2.7 | 2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.8 | BATCH METHOD: 6-12 MG/ML MYOGLOBIN, 80-85% OF THE CRYSTALLIZATION STOCK-SOLUTION (3.9 M AMMONIUM SULPHATE, 0.1 M MOPS AND 5-10% OF GLYCEROL PH 6.8) |
