3NA0
Crystal structure of human CYP11A1 in complex with 20,22-dihydroxycholesterol
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 | 2009-11-18 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 82.806, 114.724, 85.716 |
| Unit cell angles | 90.00, 101.78, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.500 |
| R-factor | 0.203 |
| Rwork | 0.201 |
| R-free | 0.24500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.261 |
| 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] | 50.000 | 50.000 | 2.540 |
| High resolution limit [Å] | 2.500 | 6.780 | 2.500 |
| Rmerge | 0.105 | 0.043 | 0.365 |
| Number of reflections | 53587 | ||
| <I/σ(I)> | 7.7 | ||
| Completeness [%] | 98.4 | 100 | 89.8 |
| Redundancy | 4.4 | 4.6 | 3.6 |
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 |
