3DAX
Crystal structure of human CYP7A1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X25 |
| Synchrotron site | NSLS |
| Beamline | X25 |
| Detector technology | CCD |
| Collection date | 2007-09-21 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.96860 |
| Spacegroup name | P 1 |
| Unit cell lengths | 55.339, 80.159, 84.937 |
| Unit cell angles | 64.36, 75.23, 72.17 |
Refinement procedure
| Resolution | 30.000 - 2.150 |
| R-factor | 0.19 |
| Rwork | 0.189 |
| R-free | 0.22800 |
| Structure solution method | mr, MR |
| Starting model (for MR) | 2iag |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.288 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.3.0037) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 40.000 | 40.000 | 2.180 |
| High resolution limit [Å] | 2.100 | 4.520 | 2.100 |
| Rmerge | 0.063 | 0.029 | 0.402 |
| Number of reflections | 65596 | ||
| <I/σ(I)> | 11.1 | ||
| Completeness [%] | 92.0 | 98.3 | 68.2 |
| Redundancy | 3.7 | 3.8 | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 5.5 | 291 | 20% PEG400, 0.1M potassium chloride, 0.1M trisodium citrate, pH 5.5, vapor diffusion, temperature 291K |
| 1 | VAPOR DIFFUSION | 5.5 | 291 | 20% PEG400, 0.1M potassium chloride, 0.1M trisodium citrate, pH 5.5, vapor diffusion, temperature 291K |
