4E14
Crystal structure of kynurenine formamidase conjugated with phenylmethylsulfonyl fluoride
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 | 2011-04-08 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.0750 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 75.471, 47.029, 85.282 |
| Unit cell angles | 90.00, 90.56, 90.00 |
Refinement procedure
| Resolution | 42.640 - 1.640 |
| R-factor | 0.21896 |
| Rwork | 0.217 |
| R-free | 0.24848 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4e11 |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.525 |
| 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 | 1.700 |
| High resolution limit [Å] | 1.640 | 1.640 |
| Rmerge | 0.060 | 0.680 |
| Number of reflections | 36090 | |
| <I/σ(I)> | 27.4 | 2.4 |
| Redundancy | 7.5 | 6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 25% ethylene glycol, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
