2Q2N
Crystal structure of Bacillus subtilis ferrochelatase in complex with deuteroporphyrin IX 2,4-disulfonic acid dihydrochloride
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | MAX II BEAMLINE I911-3 |
| Synchrotron site | MAX II |
| Beamline | I911-3 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-12-13 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 48.300, 49.900, 118.200 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.550 - 1.800 |
| R-factor | 0.194 |
| Rwork | 0.192 |
| R-free | 0.25000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1c1h |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.525 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.553 | 2.000 |
| High resolution limit [Å] | 1.760 | 1.760 |
| Rmerge | 0.087 | 0.370 |
| Number of reflections | 25719 | |
| <I/σ(I)> | 21.72 | 5.55 |
| Completeness [%] | 94.1 | 96.4 |
| Redundancy | 8.1 | 5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 298 | 30% PEG 2000, 0.1M Tris/HCl pH 8, 0.2M magnesium chloride, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
