2J0D
Crystal structure of human P450 3A4 in complex with erythromycin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-4 |
| Synchrotron site | ESRF |
| Beamline | ID14-4 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-07-19 |
| Detector | ADSC CCD |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 67.254, 210.706, 161.246 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 2.750 |
| R-factor | 0.242 |
| Rwork | 0.238 |
| R-free | 0.31500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1w0e |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.332 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.800 | 2.820 |
| High resolution limit [Å] | 2.750 | 2.750 |
| Rmerge | 0.100 | 0.560 |
| Number of reflections | 30291 | |
| <I/σ(I)> | 16.4 | 3.9 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 7.2 | 7.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | HANGING DROP CRYSTALLISATION USING 1:1 RATIO OF PROTEIN AT 20-27 MG/ML AGAINST 0.1 M HEPES PH 7-7.5, 0.2 M LITHIUM SULFATE,0.8-1.0 M LITHIUM CHLORIDE AND 30% PEG4000 |
