5L7Y
17beta-hydroxysteroid dehydrogenase 14 variant T205 in complex with a non-steroidal inhibitor.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1) |
Synchrotron site | PETRA III, EMBL c/o DESY |
Beamline | P13 (MX1) |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-11-06 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.799900 |
Spacegroup name | I 4 2 2 |
Unit cell lengths | 91.571, 91.571, 132.518 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.310 - 1.912 |
R-factor | 0.1393 |
Rwork | 0.138 |
R-free | 0.16450 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5en4 |
RMSD bond length | 0.009 |
RMSD bond angle | 0.993 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHENIX |
Refinement software | PHENIX ((1.10.1_2155: 000)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.030 |
High resolution limit [Å] | 1.910 | 1.910 |
Rmerge | 0.497 | |
Number of reflections | 21943 | |
<I/σ(I)> | 16.75 | 3.71 |
Completeness [%] | 98.9 | 94.8 |
Redundancy | 7.17 | 6.66 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 291 | CHES 0.1 M pH 9.50 tri-sodium-citrate 1.00 M DMSO 5% |