4E15
Crystal structure of kynurenine formamidase conjugated with an inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X29A |
Synchrotron site | NSLS |
Beamline | X29A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-11-29 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1.0750 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 71.602, 76.021, 210.377 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.700 - 1.500 |
R-factor | 0.17235 |
Rwork | 0.171 |
R-free | 0.19808 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4e11 |
RMSD bond length | 0.024 |
RMSD bond angle | 2.070 |
Data reduction software | HKL-2000 |
Data scaling software | SCALA |
Phasing software | PHASES |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.550 |
High resolution limit [Å] | 1.500 | 1.500 |
Rmerge | 0.150 | 0.340 |
Number of reflections | 90494 | |
<I/σ(I)> | 25 | 4 |
Redundancy | 14.3 | 12.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 0.1 M HEPES, pH 7.5, 18% PEG4000, 8% 2-propanol, VAPOR DIFFUSION, HANGING DROP, temperature 293K |