3M4Z
Crystal Structure of B. subtilis ferrochelatase with Cobalt bound at the active site
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 | 2009-05-31 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 1.04 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 48.410, 49.900, 118.080 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.940 |
| R-factor | 0.16995 |
| Rwork | 0.168 |
| R-free | 0.19854 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1doz |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.248 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.990 |
| High resolution limit [Å] | 1.940 | 1.940 |
| Rmerge | 0.099 | 0.507 |
| Number of reflections | 40865 | |
| <I/σ(I)> | 6.19 | |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 13.5 | 13.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | 25% PEG 2000, 0.2M MgCl2, 0.1M Tris-HCl, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
