6HGJ
Crystal structure of Alpha1-antichymotrypsin variant NewBG-III: a new binding globulin in complex with aldosterone
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1) |
Synchrotron site | PETRA III, EMBL c/o DESY |
Beamline | P13 (MX1) |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2013-09-30 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.97731 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 69.404, 77.721, 79.470 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 35.379 - 1.825 |
R-factor | 0.186 |
Rwork | 0.184 |
R-free | 0.22130 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6hgg |
RMSD bond length | 0.008 |
RMSD bond angle | 0.833 |
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] | 43.400 | 1.940 |
High resolution limit [Å] | 1.825 | 1.825 |
Rmeas | 0.098 | 1.249 |
Number of reflections | 38130 | |
<I/σ(I)> | 15.5 | 1.53 |
Completeness [%] | 98.1 | |
Redundancy | 13.34 | |
CC(1/2) | 0.999 | 0.790 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 292 | 2 % v/v Tacsimate pH 5.0, 0.1 M sodium citrate tribasic dihydrate pH 5.6, 16 % w/v PEG 3350 |