2HH9
Thiamin pyrophosphokinase from Candida albicans
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID29 |
Synchrotron site | ESRF |
Beamline | ID29 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2005-08-27 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 0.95372 |
Spacegroup name | P 1 |
Unit cell lengths | 51.309, 60.696, 64.831 |
Unit cell angles | 65.94, 89.86, 64.87 |
Refinement procedure
Resolution | 50.190 - 2.100 |
R-factor | 0.183 |
Rwork | 0.183 |
R-free | 0.25600 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2g9z |
RMSD bond length | 0.005 |
RMSD bond angle | 1.200 |
Data reduction software | MOSFLM |
Data scaling software | CCP4 ((SCALA)) |
Phasing software | AMoRE |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 57.740 | 2.210 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.047 | 0.083 |
Number of reflections | 35489 | |
<I/σ(I)> | 18.5 | 8.9 |
Completeness [%] | 96.1 | 85.4 |
Redundancy | 2 | 2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 20% PEG4000, 0.2M Magnesium chloride, 0.1M Tris, 20% Glycerol. Protein incubated with Thiman, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |