4HO8
Crystal structure of glucose 1-phosphate thymidylyltransferase from Aneurinibacillus thermoaerophilus complexed with UDP-glucose and thymidine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSRRC BEAMLINE BL13C1 |
Synchrotron site | NSRRC |
Beamline | BL13C1 |
Temperature [K] | 110 |
Detector technology | CCD |
Collection date | 2011-08-09 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.0000 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 71.016, 91.250, 91.233 |
Unit cell angles | 90.00, 90.13, 90.00 |
Refinement procedure
Resolution | 30.000 - 2.600 |
R-factor | 0.1882 |
Rwork | 0.185 |
R-free | 0.23970 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1h5r |
RMSD bond length | 0.017 |
RMSD bond angle | 1.266 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 30.000 | 30.000 | 2.690 |
High resolution limit [Å] | 2.600 | 5.590 | 2.600 |
Rmerge | 0.045 | 0.023 | 0.404 |
Number of reflections | 35282 | ||
<I/σ(I)> | 15 | ||
Completeness [%] | 98.7 | 94.8 | 98.8 |
Redundancy | 3.2 | 3.1 | 3.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 0.1M sodium cacodylate, 1.8M lithium sulfate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |