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 |