6KGC
Crystal structure of CaDoc0917(R49D)-CaCohA2 complex at pH 5.4
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL19U1 |
Synchrotron site | SSRF |
Beamline | BL19U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-12-15 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.97852 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 31.220, 64.720, 100.750 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.753 - 1.600 |
R-factor | 0.1618 |
Rwork | 0.159 |
R-free | 0.19460 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1ohz |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX ((1.13_2998: ???)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 39.753 | 39.753 | 1.640 |
High resolution limit [Å] | 1.600 | 7.160 | 1.600 |
Rmerge | 0.053 | 0.024 | 0.247 |
Rmeas | 0.064 | 0.028 | 0.292 |
Total number of observations | 168482 | ||
Number of reflections | 50899 | 583 | 3797 |
<I/σ(I)> | 15.45 | 31.03 | 5.32 |
Completeness [%] | 97.8 | 99.3 | 98.2 |
Redundancy | 3.31 | 3.674 | 3.423 |
CC(1/2) | 0.998 | 0.999 | 0.929 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 292 | crystals were obtained with 0.2 M sodium acetate, 0.1 M Tris-HCl, and 30% (w/v) PEG4000 at pH 8.0, then soaked into 0.2 M MgCl2, 0.1 M sodium acetate, and 25% (w/v) PEG 3350 at pH 5.4 for 10 minutes |