6HGL
Crystal structure of Alpha1-antichymotrypsin variant NewBG-III: a new binding globulin in complex with testosterone
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BESSY BEAMLINE 14.1 |
Synchrotron site | BESSY |
Beamline | 14.1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2013-12-12 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 0.918409 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 71.030, 76.940, 80.050 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 38.470 - 1.920 |
R-factor | 0.1898 |
Rwork | 0.188 |
R-free | 0.22400 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6hgg |
RMSD bond length | 0.006 |
RMSD bond angle | 0.689 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX ((1.13_2998: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 38.470 | 2.040 |
High resolution limit [Å] | 1.920 | 1.920 |
Rmeas | 0.070 | 0.694 |
Number of reflections | 33793 | |
<I/σ(I)> | 15.02 | 2.11 |
Completeness [%] | 98.8 | |
Redundancy | 3.67 | |
CC(1/2) | 0.999 | 0.767 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 2 % v/v Tacsimate pH 5.0, 0.1 M sodium citrate tribasic dihydrate pH 5.6, 16 % w/v PEG 3350 |