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 |
