4L1X
Crystal Structuer of Human 3-alpha Hydroxysteroid Dehydrogenase Type 3 V54L Mutant in Complex with NADP+ and Progesterone
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 31-ID |
Synchrotron site | APS |
Beamline | 31-ID |
Temperature [K] | 110 |
Detector technology | CCD |
Collection date | 2012-10-31 |
Detector | RAYONIX MX225HE |
Wavelength(s) | 0.979310 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 53.140, 87.100, 76.870 |
Unit cell angles | 90.00, 106.31, 90.00 |
Refinement procedure
Resolution | 24.600 - 2.000 |
R-factor | 0.142 |
Rwork | 0.140 |
R-free | 0.18255 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1j96 |
RMSD bond length | 0.019 |
RMSD bond angle | 1.941 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASES |
Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 25.000 | 2.110 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.053 | |
Number of reflections | 44885 | |
Completeness [%] | 98.7 | 96.6 |
Redundancy | 3.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 295 | 25% PEG3350, 0.1M Sodium Cacodylate, 0.2M Ammonium Sulfate, 0.8mM Progesterone, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 295K |