4DXY
Crystal structures of CYP101D2 Y96A mutant
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 |
| Collection date | 2009-08-28 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 86.896, 86.896, 124.828 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 41.030 - 2.000 |
| R-factor | 0.20675 |
| Rwork | 0.205 |
| R-free | 0.24858 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3nv5 |
| RMSD bond length | 0.026 |
| RMSD bond angle | 2.040 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.070 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.064 | 0.450 |
| Number of reflections | 37490 | |
| <I/σ(I)> | 48.3 | 4.37 |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 10.7 | 9.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.3 | 291 | 0.1M Tris, pH 8.3, 5% v/v PEG 400, 1.9M ammonium sulphate, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
