3O16
Crystal Structure of Bacillus subtilis Thiamin Phosphate Synthase K159A
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 24-ID-C |
Synchrotron site | APS |
Beamline | 24-ID-C |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-06-25 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.97920 |
Spacegroup name | P 42 21 2 |
Unit cell lengths | 95.640, 95.640, 59.000 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 34.630 - 2.100 |
Rwork | 0.214 |
R-free | 0.24470 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.006 |
RMSD bond angle | 1.157 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | CNS |
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 | 0.070 | 0.039 | 0.325 |
Number of reflections | 14986 | ||
<I/σ(I)> | 13.3 | ||
Completeness [%] | 91.3 | 85.1 | 93.2 |
Redundancy | 6.7 | 7.7 | 6.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.7 | 277 | 22-28% PEG4000, 75 mM MgCl2, 1 mM DTT, 100 mM Tris, pH 7.7, vapor diffusion, hanging drop, temperature 277K |