5ILM
H64A sperm whale myoglobin with a Fe-chlorophenyl moiety
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-06-19 |
| Detector | DECTRIS PILATUS 200K |
| Wavelength(s) | 1.54178 |
| Spacegroup name | P 6 |
| Unit cell lengths | 90.599, 90.599, 45.121 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 40.000 - 1.700 |
| R-factor | 0.1539 |
| Rwork | 0.152 |
| R-free | 0.19210 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2mbw |
| RMSD bond length | 0.025 |
| RMSD bond angle | 2.418 |
| Data reduction software | HKL-3000 |
| Phasing software | HKL-3000 |
| Refinement software | REFMAC (5.8.0131) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.730 |
| High resolution limit [Å] | 1.700 | 4.610 | 1.700 |
| Rmerge | 0.064 | 0.023 | 0.474 |
| Number of reflections | 23456 | ||
| <I/σ(I)> | 9.2 | ||
| Completeness [%] | 100.0 | 99.8 | 100 |
| Redundancy | 9.1 | 7.5 | 6.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | BATCH MODE | 9 | 293 | 100 mM Tris-HCl pH 9.0, 1 mM EDTA, 2.3 M Ammonium sulfate |
