3THA
Tryptophan synthase subunit alpha from Campylobacter jejuni.
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 | 2011-07-10 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9792 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 91.969, 91.969, 120.020 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 42.900 - 2.370 |
R-factor | 0.2185 |
Rwork | 0.216 |
R-free | 0.26280 |
Structure solution method | SAD |
RMSD bond length | 0.017 |
RMSD bond angle | 1.694 |
Data reduction software | HKL-3000 |
Data scaling software | SCALEPACK |
Phasing software | PHENIX |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 42.900 | 50.000 | 2.410 |
High resolution limit [Å] | 2.370 | 6.430 | 2.370 |
Rmerge | 0.058 | 0.035 | 0.865 |
Number of reflections | 24306 | ||
<I/σ(I)> | 13.2 | 27.1 | |
Completeness [%] | 99.7 | 94 | 100 |
Redundancy | 10.4 | 8.6 | 9.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 289 | 0.09 HEPES buffer, 1.26 M sodium citrate, 10% glycerol, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 289K |