2AC2
Crystal structure of the Tyr13Phe mutant variant of Bacillus subtilis Ferrochelatase with Zn(2+) bound at the active site
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | MAX II BEAMLINE I711 |
| Synchrotron site | MAX II |
| Beamline | I711 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2004-04-17 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.079 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 48.170, 49.700, 117.970 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.500 |
| R-factor | 0.21 |
| Rwork | 0.210 |
| R-free | 0.25700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1doz |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.300 |
| Data scaling software | XDS |
| Phasing software | CNS |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.660 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.117 | 0.214 |
| Number of reflections | 9793 | |
| Completeness [%] | 95.3 | 73.7 |
| Redundancy | 4 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 7.4 | 288 | PEG 2000, magnesium chloride, tris, pH 7.4, VAPOR DIFFUSION, temperature 288K |
