6PYF
Sex Hormone-binding globulin mutant E176K in complex with Estradiol
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL7-1 |
Synchrotron site | SSRL |
Beamline | BL7-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-01-11 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.00 |
Spacegroup name | P 43 2 2 |
Unit cell lengths | 51.876, 51.876, 149.613 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 42.629 - 1.730 |
R-factor | 0.1866 |
Rwork | 0.183 |
R-free | 0.22040 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1lhu |
Data reduction software | XDS |
Data scaling software | Aimless (0.7.4) |
Phasing software | PHASER (2.8.3) |
Refinement software | PHENIX (1.15.23472) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 42.630 | 42.630 | 1.760 |
High resolution limit [Å] | 1.730 | 8.990 | 1.730 |
Rmerge | 0.019 | 0.007 | 0.252 |
Total number of observations | 41097 | 300 | 2222 |
Number of reflections | 22292 | 211 | 1174 |
<I/σ(I)> | 22.5 | 47.9 | 3.4 |
Completeness [%] | 100.0 | 98.1 | 100 |
Redundancy | 1.8 | 1.4 | 1.9 |
CC(1/2) | 1.000 | 1.000 | 0.868 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 295 | PEG 3350, potassium thiocyanate |