1JXI
4-Amino-5-hydroxymethyl-2-methylpyrimidine Phosphate Kinase from Salmonella typhimurium complexed with 4-Amino-5-hydroxymethyl-2-methylpyrimidine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CHESS BEAMLINE A1 |
Synchrotron site | CHESS |
Beamline | A1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2000-06-22 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.909 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 77.750, 77.750, 183.490 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 25.000 - 2.600 * |
R-factor | 0.23 * |
Rwork | 0.230 |
R-free | 0.27000 |
Structure solution method | MAD |
RMSD bond length | 0.007 |
RMSD bond angle | 23.200 * |
Data reduction software | MOSFLM |
Data scaling software | CCP4 ((SCALA)) |
Phasing software | CNS |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 25.000 | |
High resolution limit [Å] | 2.600 | |
Rmerge | 0.062 * | 0.260 * |
Total number of observations | 186929 * | |
Number of reflections | 20166 | |
<I/σ(I)> | 10.4 | |
Completeness [%] | 99.7 | 99.6 * |
Redundancy | 4.7 | 4.8 * |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.2 | 18 * | MgSO4, MES, pH 7.2, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | protein | 6 (mg/ml) | |
2 | 1 | reservoir | 1.4 (M) | ||
3 | 1 | reservoir | MES | 0.15 (M) | pH7.2 |