4APY
Ethylene glycol-bound form of P450 CYP125A3 from Mycobacterium smegmatis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.3.1 |
| Synchrotron site | ALS |
| Beamline | 8.3.1 |
| Temperature [K] | 110 |
| Detector technology | CCD |
| Collection date | 2012-03-09 |
| Detector | ADSC QUANTUM 315r |
| Spacegroup name | I 41 |
| Unit cell lengths | 108.188, 108.188, 120.234 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 76.500 - 2.000 |
| R-factor | 0.16604 |
| Rwork | 0.164 |
| R-free | 0.20553 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2x5w |
| RMSD bond length | 0.025 |
| RMSD bond angle | 2.056 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 80.320 | 2.110 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.080 | 0.850 |
| Number of reflections | 46604 | |
| <I/σ(I)> | 11.3 | 1.6 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 4.7 | 4.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.5 | 45% TACSIMATE, PH 7.0; 2% GLUCOSE; 0.1 M NA CACODYLATE |
