4CO9
Crystal structure of kynurenine formamidase from Bacillus anthracis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-07-27 |
| Detector | RIGAKU CCD |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 73.710, 66.020, 83.760 |
| Unit cell angles | 90.00, 90.32, 90.00 |
Refinement procedure
| Resolution | 83.760 - 1.950 |
| R-factor | 0.17323 |
| Rwork | 0.171 |
| R-free | 0.20663 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | KYNURENINE FORMAMIDASE FROM BURKHOLDERIA CENOCEPACIA. TO BE SUBMITED |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.321 |
| Data reduction software | iMOSFLM |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 42.480 | 2.000 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Rmerge | 0.060 | 0.120 |
| Number of reflections | 202165 | |
| <I/σ(I)> | 11.1 | 4.3 |
| Completeness [%] | 99.4 | 94.9 |
| Redundancy | 3.5 | 2.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 293 | 100 MM TRIS-HCL PH 8.5, 150 MM MGCL2, 30 % (W/V) PEG 4000 AND 1.5 % (V/V) DIOXANE. 293 K. |
