1W0G
Crystal structure of human cytochrome P450 3A4
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2003-11-26 |
Detector | RIGAKU RAXIS 4 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 77.940, 100.910, 131.000 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 81.650 - 2.730 |
R-factor | 0.238 |
Rwork | 0.234 |
R-free | 0.31800 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1w0e |
RMSD bond length | 0.017 |
RMSD bond angle | 1.753 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Refinement software | REFMAC (5.2.0003A) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.000 | 2.890 |
High resolution limit [Å] | 2.740 | 2.740 |
Rmerge | 0.040 | 0.308 |
Number of reflections | 13241 | |
<I/σ(I)> | 10.8 | 2.5 |
Completeness [%] | 94.7 | 97.1 |
Redundancy | 2.8 | 2.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7.5 | 0.1M HEPES PH 7.5, 0.025M NACL, 7.5% (V/V) ISOPROPANOL, 10 |