7DOA
Crystal structure of Catabolite repressor acivator from E. coli in complex with HEPES
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 | 2017-09-01 |
Detector | DECTRIS PILATUS 300K |
Wavelength(s) | 0.873 |
Spacegroup name | P 21 2 21 |
Unit cell lengths | 123.932, 43.341, 108.908 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.910 - 2.700 |
R-factor | 0.2206 |
Rwork | 0.217 |
R-free | 0.28380 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2iks |
RMSD bond length | 0.017 |
RMSD bond angle | 2.015 |
Data reduction software | XDS |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.910 | 2.797 |
High resolution limit [Å] | 2.700 | 2.700 |
Rmerge | 0.074 | |
Number of reflections | 16445 | 3740 |
<I/σ(I)> | 10.6 | |
Completeness [%] | 97.8 | |
Redundancy | 0.08726 | |
CC(1/2) | 0.998 | 0.900 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 293 | HEPES, MgCl2, PEG 4000 |