6ULB
Sex Hormone-binding globulin mutant E176K in complex with Danazol
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 23-ID-D |
Synchrotron site | APS |
Beamline | 23-ID-D |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-07-01 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 1.03320 |
Spacegroup name | P 43 2 2 |
Unit cell lengths | 52.007, 52.007, 149.238 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.572 - 1.750 |
R-factor | 0.1877 |
Rwork | 0.184 |
R-free | 0.22520 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6pyf |
Data reduction software | XDS |
Data scaling software | Aimless (0.7.4) |
Phasing software | PHASER (2.8.3) |
Refinement software | PHENIX (1.15.2_3472) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 29.572 | 29.570 | 1.780 |
High resolution limit [Å] | 1.750 | 9.090 | 1.750 |
Rmerge | 0.062 | 0.038 | 0.726 |
Rmeas | 0.065 | 0.040 | 0.767 |
Rpim | 0.018 | 0.013 | 0.244 |
Total number of observations | 2039 | 11294 | |
Number of reflections | 21617 | 204 | 1158 |
<I/σ(I)> | 21.4 | 52.1 | 3.1 |
Completeness [%] | 100.0 | 97.3 | 100 |
Redundancy | 12.6 | 10 | 9.8 |
CC(1/2) | 0.999 | 0.998 | 0.946 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 295 | 20% PEG 3350, 0.2M potassium thiocyanate |