1G69
THIAMIN PHOSPHATE SYNTHASE
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 | 1999-07 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 76.480, 76.480, 139.880 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.910 - 1.500 |
R-factor | 0.21 * |
Rwork | 0.215 |
R-free | 0.22800 * |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 1g4e |
RMSD bond length | 0.005 |
RMSD bond angle | 1.100 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 42.860 | |
High resolution limit [Å] | 1.500 | |
Rmerge | 0.039 | 0.344 * |
Number of reflections | 63282 * | |
<I/σ(I)> | 7.4 | |
Completeness [%] | 94.2 * | 69.2 * |
Redundancy | 6.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion, sitting drop * | 7.5 | 4 * | Chiu, H.-J., (1999) Biochemistry, 38, 6460. * |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | protein | 20 (mg/ml) | |
2 | 1 | drop | Tris-HCl | 50 (mM) | |
3 | 1 | drop | dithiothreitol | 2 (mM) | |
4 | 1 | reservoir | Tris-HCl | 75 (mM) | |
5 | 1 | reservoir | 75 (mM) | ||
6 | 1 | reservoir | PEG4000 | 24-26 (%(v/v)) | |
7 | 1 | reservoir | beta-mercaptoethanol | 2 (mM) | |
8 | 1 | reservoir | beta-octylglucopyranoside | 5 (mM) |