4FNE
X-ray Crystal structure of the Ancestral 3-keto steroid receptor - DOC complex
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 293.15 |
| Detector technology | CCD |
| Collection date | 2008-10-09 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.00 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 52.795, 111.618, 130.765 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 65.380 - 2.780 |
| R-factor | 0.21088 |
| Rwork | 0.207 |
| R-free | 0.28025 |
| Structure solution method | MAD |
| Starting model (for MR) | 1a28 |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.774 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASES |
| Refinement software | REFMAC (5.6.0111) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 65.380 | 50.000 | 2.920 |
| High resolution limit [Å] | 2.780 | 6.070 | 2.820 |
| Rmerge | 0.057 | 0.345 | |
| Number of reflections | 8757 | ||
| <I/σ(I)> | 19.4 | ||
| Completeness [%] | 95.2 | 98.5 | 70 |
| Redundancy | 3.9 | 4 | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 0.1M MES pH 6.0, glycerol, MgSO4, VAPOR DIFFUSION, HANGING DROP |
