4EGO
The X-ray crystal structure of CYP199A4 in complex with indole-6-carboxylic acid
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-17A |
| Synchrotron site | Photon Factory |
| Beamline | BL-17A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9796 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 106.862, 143.674, 172.881 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 39.000 - 1.760 |
| R-factor | 0.18373 |
| Rwork | 0.182 |
| R-free | 0.21415 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4dnz |
| RMSD bond length | 0.032 |
| RMSD bond angle | 2.389 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | CCP4 |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.820 |
| High resolution limit [Å] | 1.760 | 1.760 |
| Rmerge | 0.069 | 0.417 |
| Number of reflections | 235058 | |
| <I/σ(I)> | 15.4 | 2.4 |
| Completeness [%] | 90.0 | 66.5 |
| Redundancy | 4.6 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 293 | 0.1M Bis-tris, 1.45M (NH4)2SO4, 0.1M NaCl, 1.0M Sodium iodide, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
