2V1J
Crystal structure of radiation-induced metmyoglobin - aqua ferrous myoglobin at pH 8.7
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE X11 |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | X11 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2001-10-06 |
| Detector | MARRESEARCH |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 62.731, 28.504, 35.451 |
| Unit cell angles | 90.00, 106.22, 90.00 |
Refinement procedure
| Resolution | 21.870 - 1.400 |
| R-factor | 0.131 |
| Rwork | 0.129 |
| R-free | 0.16600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1gjn |
| RMSD bond length | 0.055 |
| RMSD bond angle | 1.062 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALEPACK |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 22.000 | 1.450 |
| High resolution limit [Å] | 1.400 | 1.400 |
| Rmerge | 0.040 | 0.290 |
| Number of reflections | 23656 | |
| <I/σ(I)> | 24.2 | 2.8 |
| Completeness [%] | 95.2 | 95.2 |
| Redundancy | 3 | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8.7 | BATCH METHOD: 6-12 MG/ML MYOGLOBIN, 80-85% OF THE CRYSTALLIZATION STOCK-SOLUTION (3.9 M AMMONIUM SULPHATE, 0.1 M TAPS AND 5-10% OF GLYCEROL PH 8.7) |
