6PYB
Sex Hormone-binding globulin mutant E176K in complex with DVT
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 23-ID-B |
Synchrotron site | APS |
Beamline | 23-ID-B |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-11-10 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.03320 |
Spacegroup name | P 43 2 2 |
Unit cell lengths | 51.953, 51.953, 148.354 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.490 - 1.800 |
R-factor | 0.206 |
Rwork | 0.203 |
R-free | 0.23100 |
Structure solution method | MOLECULAR REPLACEMENT |
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] | 29.670 | 29.670 | 1.840 |
High resolution limit [Å] | 1.800 | 9.000 | 1.800 |
Rmerge | 0.062 | 0.034 | 1.075 |
Total number of observations | 254680 | 2006 | 15066 |
Number of reflections | 19752 | 208 | 1133 |
<I/σ(I)> | 22.2 | 59.8 | 2.6 |
Completeness [%] | 100.0 | 97.3 | 100 |
Redundancy | 12.9 | 9.6 | 13.3 |
CC(1/2) | 0.999 | 0.999 | 0.843 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 295 | PEG 3350, Potassium thiocyanate |