1GJN
Hydrogen Peroxide Derived Myoglobin Compound II at pH 5.2
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 | 2000-02-15 |
| Detector | MARRESEARCH |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 62.862, 28.650, 35.352 |
| Unit cell angles | 90.00, 105.93, 90.00 |
Refinement procedure
| Resolution | 20.790 - 1.350 |
| R-factor | 0.178 |
| Rwork | 0.178 |
| R-free | 0.20500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1wla |
| RMSD bond length | 0.012 |
| RMSD bond angle | 18.100 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 21.000 | 1.380 |
| High resolution limit [Å] | 1.350 | 1.350 |
| Rmerge | 0.083 | 0.305 |
| Total number of observations | 296944 * | |
| Number of reflections | 26717 | |
| <I/σ(I)> | 22 | 2.7 |
| Completeness [%] | 98.4 | 85.4 |
| Redundancy | 4.2 | 2.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Batch method * | 5.2 | 6-10 MG/ML PROTEIN 3.0 M AMMONIUM SULPHATE, 10.8% GLYCEROL PH 5.2, RT. |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | 1 | protein | 6-10 (mg/ml) | |
| 2 | 1 | 1 | ammonium sulfate | 3.0 (M) | |
| 3 | 1 | 1 | glycerol | 10.8 (%) | pH5.2 |
