3EPO
Crystal structure of Caulobacter crescentus ThiC complexed with HMP-P
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 24-ID-E |
Synchrotron site | APS |
Beamline | 24-ID-E |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-03-27 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.97918 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 63.021, 103.193, 83.105 |
Unit cell angles | 90.00, 102.17, 90.00 |
Refinement procedure
Resolution | 41.060 - 2.100 |
R-factor | 0.156 |
Rwork | 0.152 |
R-free | 0.22700 |
RMSD bond length | 0.006 |
RMSD bond angle | 1.001 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.180 |
High resolution limit [Å] | 2.100 | 4.520 | 2.100 |
Rmerge | 0.137 | 0.096 | 0.345 |
Number of reflections | 56042 | ||
Completeness [%] | 94.1 | 97.2 | 76.2 |
Redundancy | 2.7 | 3 | 1.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | 1.4 M sodium citrate, 0.1 M sodium HEPES, pH 7.5, vapor diffusion, hanging drop, temperature 298K |