3GOQ
Crystal structure of the Tyr13Met variant of Bacillus subtilis ferrochelatase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | MAX II BEAMLINE I911-5 |
| Synchrotron site | MAX II |
| Beamline | I911-5 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-11-10 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.97935 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 48.330, 49.900, 118.050 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 24.170 - 1.600 |
| R-factor | 0.19953 |
| Rwork | 0.198 |
| R-free | 0.23246 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1doz |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.374 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | CNS |
| Refinement software | REFMAC (5.5.0035) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.000 | 1.690 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.102 | 0.418 |
| Number of reflections | 37676 | |
| <I/σ(I)> | 13 | 4.6 |
| Completeness [%] | 97.7 | 93.7 |
| Redundancy | 7.1 | 7.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.4 | 298 | 25-30 % PEG 2000, 0.2 M MgCl2, 0.1 M TRIS-HCL, pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
