3N9Y
Crystal structure of human CYP11A1 in complex with cholesterol
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Collection date | 2010-03-24 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 82.999, 114.686, 86.019 |
| Unit cell angles | 90.00, 101.96, 90.00 |
Refinement procedure
| Resolution | 19.890 - 2.100 |
| R-factor | 0.207 |
| Rwork | 0.205 |
| R-free | 0.24200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.243 |
| 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 | 2.140 |
| High resolution limit [Å] | 2.100 | 5.660 | 2.100 |
| Rmerge | 0.084 | 0.036 | 0.522 |
| Number of reflections | 92214 | ||
| <I/σ(I)> | 9.3 | ||
| Completeness [%] | 99.9 | 99.4 | 100 |
| Redundancy | 4.4 | 4.3 | 4.4 |
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 |
