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 |