6EJP
Yersinia YscU C-terminal fragment in complex with a synthetic compound
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-2 |
Synchrotron site | ESRF |
Beamline | ID23-2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2014-10-25 |
Detector | DECTRIS PILATUS3 X 2M |
Wavelength(s) | 0.87290 |
Spacegroup name | I 21 21 21 |
Unit cell lengths | 53.740, 69.650, 242.670 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 23.390 - 2.480 |
R-factor | 0.2162 |
Rwork | 0.214 |
R-free | 0.25220 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2jli |
RMSD bond length | 0.012 |
RMSD bond angle | 1.200 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | BALBES |
Refinement software | BUSTER (2.11.5) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 44.800 | 2.630 |
High resolution limit [Å] | 2.480 | 2.480 |
Rmerge | 0.121 | 0.877 |
Number of reflections | 16706 | 2613 |
<I/σ(I)> | 15.1 | |
Completeness [%] | 99.7 | 98.6 |
Redundancy | 13.3 | 14 |
CC(1/2) | 0.990 | 0.900 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 277 | 0.8 M potassium dihydrogen phosphate, 0.8 M disodium hydrogen phosphate, 0.1 M Hepes |