4WDT
17beta-HSD5 in complex with 2-nitro-5-(phenylsulfonyl)phenol
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE AR-NW12A |
| Synchrotron site | Photon Factory |
| Beamline | AR-NW12A |
| Temperature [K] | 90 |
| Detector technology | CCD |
| Collection date | 2005-11-24 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 55.507, 62.565, 96.180 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 38.130 - 1.500 |
| R-factor | 0.17782 |
| Rwork | 0.176 |
| R-free | 0.20422 |
| RMSD bond length | 0.026 |
| RMSD bond angle | 2.532 |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 50.000 |
| High resolution limit [Å] | 1.500 |
| Number of reflections | 49926 |
| <I/σ(I)> | 9.4 |
| Completeness [%] | 91.5 |
| Redundancy | 3.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 298 | 0.1 M sodium citrate, 0.4 M ammonium acetate, 2.5% (v/v) 2-methyl-2,4-pentanediol, 22-30% (w/v) PEG4000 |
