2Q3J
Crystal structure of the His183Ala variant of Bacillus subtilis ferrochelatase in complex with N-Methyl Mesoporphyrin
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 | 2005-12-07 |
Detector | MARMOSAIC 225 mm CCD |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 49.780, 58.570, 97.830 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 2.390 |
R-factor | 0.1829 |
Rwork | 0.183 |
R-free | 0.22830 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2h1w |
RMSD bond length | 0.006 |
RMSD bond angle | 1.300 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | CNS |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.530 |
High resolution limit [Å] | 2.390 | 2.390 |
Rmerge | 0.103 | 0.299 |
Number of reflections | 11775 | |
<I/σ(I)> | 18.4 | 10.4 |
Completeness [%] | 98.7 | 94 |
Redundancy | 5.1 | 5 |
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 |