3NA1
Crystal structure of human CYP11A1 in complex with 20-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 | 2009-11-18 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 82.810, 115.149, 85.727 |
| Unit cell angles | 90.00, 101.45, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.250 |
| R-factor | 0.195 |
| Rwork | 0.193 |
| R-free | 0.23200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3n9y |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.177 |
| 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 | 2.290 |
| High resolution limit [Å] | 2.250 | 6.100 | 2.250 |
| Rmerge | 0.072 | 0.031 | 0.223 |
| Number of reflections | 74265 | ||
| <I/σ(I)> | 15.3 | ||
| Completeness [%] | 99.3 | 99.7 | 96.2 |
| Redundancy | 4.5 | 4.6 | 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 |
