3ZSN
Structure of the mixed-function P450 MycG F286A mutant in complex with mycinamicin IV
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 | 2011-05-28 |
| Detector | MARRESEARCH |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 58.214, 100.940, 440.842 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 220.420 - 1.900 |
| R-factor | 0.18818 |
| Rwork | 0.185 |
| R-free | 0.24497 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2Y4H |
| RMSD bond length | 0.022 |
| RMSD bond angle | 1.902 |
| 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] | 146.950 | 2.000 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.080 | 0.560 |
| Number of reflections | 91500 | |
| <I/σ(I)> | 10.9 | 1.7 |
| Completeness [%] | 89.2 | 64.2 |
| Redundancy | 5.4 | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 5 | 2.5% PEG 1500; 0.1 M SODIUM MALONATE, PH 5.0; 2% BENZAMIDINE. |
