5F64
Putative positive transcription regulator (sensor EvgS) from Shigella flexneri
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-ID |
Synchrotron site | APS |
Beamline | 19-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-06-15 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9792 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 168.485, 110.867, 110.769 |
Unit cell angles | 90.00, 126.74, 90.00 |
Refinement procedure
Resolution | 39.200 - 2.710 |
R-factor | 0.1851 |
Rwork | 0.183 |
R-free | 0.22290 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3f6c |
RMSD bond length | 0.013 |
RMSD bond angle | 1.548 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | HKL-3000 |
Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 40.000 | 40.000 | 2.750 |
High resolution limit [Å] | 2.700 | 7.310 | 2.700 |
Rmerge | 0.081 | 0.030 | 0.830 |
Rmeas | 0.095 | 0.036 | 0.978 |
Rpim | 0.049 | 0.019 | 0.512 |
Total number of observations | 164723 | ||
Number of reflections | 43850 | ||
<I/σ(I)> | 9.8 | 1.7 | |
Completeness [%] | 99.3 | 95 | 95 |
Redundancy | 3.8 | 3.6 | 3.5 |
CC(1/2) | 0.998 | 0.793 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 289 | 0.2 M tri-sodium citrate, 0.1 M TRIS buffer, 15% PEG-400 |