6KGE
Crystal structure of CaDoc0917(R16D)-CaCohA2 complex at pH 5.5
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17U1 |
Synchrotron site | SSRF |
Beamline | BL17U1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2017-06-01 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97915 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 42.990, 76.030, 121.000 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 35.751 - 2.000 |
R-factor | 0.1967 |
Rwork | 0.194 |
R-free | 0.23730 |
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] | 35.751 | 35.751 | 2.050 |
High resolution limit [Å] | 2.000 | 8.940 | 2.000 |
Rmerge | 0.137 | 0.079 | 0.407 |
Rmeas | 0.160 | 0.093 | 0.476 |
Total number of observations | 191254 | ||
Number of reflections | 51345 | 494 | 3877 |
<I/σ(I)> | 6.47 | 10.62 | 3.38 |
Completeness [%] | 99.1 | 85.5 | 99.9 |
Redundancy | 3.725 | 3.425 | 3.743 |
CC(1/2) | 0.983 | 0.980 | 0.842 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 292 | 0.2 M MgCl2, 0.1 M sodium acetate, and 25% (w/v) PEG 3350 at pH 5.5 |