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 |