4CZ1
Crystal structure of kynurenine formamidase from Bacillus anthracis complexed with 2-aminoacetophenone.
Replaces: 4COAExperimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2013-09-22 |
Detector | DECTRIS PILATUS 6M |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 73.695, 66.561, 84.061 |
Unit cell angles | 90.00, 90.24, 90.00 |
Refinement procedure
Resolution | 42.640 - 2.240 |
R-factor | 0.18576 |
Rwork | 0.184 |
R-free | 0.22410 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4co9 |
RMSD bond length | 0.017 |
RMSD bond angle | 1.684 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 42.640 | 2.320 |
High resolution limit [Å] | 2.250 | 2.250 |
Rmerge | 0.160 | 0.550 |
Number of reflections | 38046 | |
<I/σ(I)> | 4.8 | 2.2 |
Completeness [%] | 98.1 | 97.7 |
Redundancy | 2.7 | 2.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 293 | 100 MM TRIS-HCL PH 8.5, 140 MM MGCL2 AND 30 % (W/V) PEG 4000. 293 K. PROTEIN WAS PREVIOUSLY INCUBATED WITH 5 % (V/V) 2-AMINOACETOPHENONE. |