2H1V
Crystal structure of the Lys87Ala mutant variant of Bacillus subtilis ferrochelatase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | MAX II BEAMLINE I911-2 |
| Synchrotron site | MAX II |
| Beamline | I911-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2004-11-18 |
| Detector | MARRESEARCH |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 47.700, 49.400, 117.200 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 25.000 - 1.200 |
| R-factor | 0.1304 |
| Rwork | 0.123 |
| R-free | 0.17280 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1doz |
| RMSD bond length | 0.012 |
| RMSD bond angle | 0.028 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | CNS |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.000 | 1.270 |
| High resolution limit [Å] | 1.200 | 1.200 |
| Rmerge | 0.067 | 0.233 |
| Number of reflections | 83273 | |
| <I/σ(I)> | 14 | 5 |
| Completeness [%] | 93.9 | 70.2 |
| Redundancy | 5.1 | 2.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 7.4 | 288 | 25-30% PEG 2000, 0.2 M magnesium chloride, 0.1 M Tris-HCl, pH 7.4, VAPOR DIFFUSION, temperature 288K |
