3N9Z
Crystal structure of human CYP11A1 in complex with 22-hydroxycholesterol
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-B |
| Synchrotron site | APS |
| Beamline | 23-ID-B |
| Temperature [K] | 100 |
| Collection date | 2009-07-13 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 83.383, 115.095, 86.213 |
| Unit cell angles | 90.00, 101.82, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.170 |
| R-factor | 0.211 |
| Rwork | 0.210 |
| R-free | 0.24300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.140 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 20.000 | 20.000 | 2.200 |
| High resolution limit [Å] | 2.150 | 5.270 | 2.150 |
| Rmerge | 0.112 | 0.050 | 0.515 |
| Number of reflections | 82082 | ||
| <I/σ(I)> | 8.7 | ||
| Completeness [%] | 98.5 | 98 | 93.5 |
| Redundancy | 3.8 | 3.9 | 2.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 291 | PEG 8000, Ca acetate, pH 7.5, vapor diffusion, hanging drop, temperature 291K |
