3ZKP
Structure of a mutant of P450 EryK in complex with erythromycin B.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-2 |
| Synchrotron site | ESRF |
| Beamline | ID23-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-04-08 |
| Detector | MARMOSAIC 225 mm CCD |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 57.753, 36.597, 96.273 |
| Unit cell angles | 90.00, 92.93, 90.00 |
Refinement procedure
| Resolution | 29.120 - 2.000 |
| R-factor | 0.16597 |
| Rwork | 0.163 |
| R-free | 0.21529 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 2jjo |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.410 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.030 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.090 | 0.440 |
| Number of reflections | 27774 | |
| <I/σ(I)> | 13 | 2.1 |
| Completeness [%] | 98.3 | 77.4 |
| Redundancy | 3.9 | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8.5 | 25% PEG3350, 0.1 M TRIS HCL, PH 8.5, 0.2 M CH3COONH4 |
