5XUA
The ligand-free dimer of chemoreceptor MCP2201 ligand binding domain
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17U |
Synchrotron site | SSRF |
Beamline | BL17U |
Temperature [K] | 93 |
Detector technology | CCD |
Collection date | 2014-07-07 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.9790 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 64.780, 105.030, 91.070 |
Unit cell angles | 90.00, 90.95, 90.00 |
Refinement procedure
Resolution | 53.199 - 2.800 |
R-factor | 0.2241 |
Rwork | 0.222 |
R-free | 0.26630 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5XUD |
RMSD bond length | 0.004 |
RMSD bond angle | 0.752 |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | PHENIX (1.11.1_2575) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 55.130 | 2.950 |
High resolution limit [Å] | 2.800 | 2.800 |
Rmerge | 0.107 | 0.643 |
Number of reflections | 30025 | 4389 |
<I/σ(I)> | 7.7 | 2.3 |
Completeness [%] | 99.5 | 99.8 |
Redundancy | 3.6 | 3.7 |
CC(1/2) | 0.994 | 0.700 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 9.4 | 277 | 0.1 M BIS-TRIS propane pH 9.4 20% PEG 5,000 MME 2-5% 2-Propanol, 2-5% Glycerol |