4YYZ
11B-HYDROXYSTEROID DEHYDROGENASE TYPE I IN COMPLEX WITH INHIBITOR
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-4 |
| Synchrotron site | ESRF |
| Beamline | ID14-4 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-09-13 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.939 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 107.788, 107.788, 136.020 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 19.750 - 3.200 |
| R-factor | 0.2204 |
| Rwork | 0.218 |
| R-free | 0.26720 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.240 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Refinement software | BUSTER (2.11.6) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.670 | 3.230 |
| High resolution limit [Å] | 3.150 | 3.150 |
| Rmerge | 0.113 | 0.507 |
| Number of reflections | 15792 | |
| <I/σ(I)> | 6.3 | 1.7 |
| Completeness [%] | 97.3 | 99.6 |
| Redundancy | 3.4 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | 20mM HEPES, 100mM NaCl, 2mM TCEP, 10uM NADP |
