2C8J
CRYSTAL STRUCTURE OF ferrochelatase HemH-1 from Bacillus anthracis, str. Ames
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SRS BEAMLINE PX9.6 |
| Synchrotron site | SRS |
| Beamline | PX9.6 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2004-11-18 |
| Detector | ADSC CCD |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 49.931, 109.927, 59.404 |
| Unit cell angles | 90.00, 90.12, 90.00 |
Refinement procedure
| Resolution | 59.440 - 2.100 |
| R-factor | 0.237 |
| Rwork | 0.234 |
| R-free | 0.28100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ak1 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.040 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 59.400 | 2.210 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.170 | 0.560 |
| Number of reflections | 32162 | |
| <I/σ(I)> | 5.1 | 0.8 |
| Completeness [%] | 81.9 | 80.4 |
| Redundancy | 2.5 | 1.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8.5 | 0.2M MGCL2, 0.1M TRIS PH 8.5, 30% PEG 30K |
