3O15
Crystal Structure of Bacillus subtilis Thiamin Phosphate Synthase Complexed with a Carboxylated Thiazole Phosphate
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 | 2009-08-18 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.97920 |
Spacegroup name | P 42 21 2 |
Unit cell lengths | 96.020, 96.020, 59.340 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 28.350 - 1.950 |
Rwork | 0.198 |
R-free | 0.23170 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.005 |
RMSD bond angle | 1.190 |
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 | 2.020 |
High resolution limit [Å] | 1.950 | 4.200 | 1.950 |
Rmerge | 0.062 | 0.028 | 0.330 |
Number of reflections | 20400 | ||
<I/σ(I)> | 18.2 | ||
Completeness [%] | 98.3 | 90.3 | 99.6 |
Redundancy | 3.4 | 3.4 | 3.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 277 | 22-28% PEG4000, 75 mM MgCl2, 1 mM DTT, 100 mM Tris, pH 7.5, vapor diffusion, hanging drop, temperature 277K |