4ECM
2.3 Angstrom Crystal Structure of a Glucose-1-phosphate Thymidylyltransferase from Bacillus anthracis in Complex with Thymidine-5-diphospho-alpha-D-glucose and Pyrophosphate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-G |
Synchrotron site | APS |
Beamline | 21-ID-G |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-03-05 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.97856 |
Spacegroup name | P 6 2 2 |
Unit cell lengths | 135.072, 135.072, 85.138 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 29.240 - 2.300 |
R-factor | 0.15442 |
Rwork | 0.153 |
R-free | 0.18588 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3hl3 |
RMSD bond length | 0.011 |
RMSD bond angle | 1.526 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.340 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.108 | 0.533 |
Number of reflections | 20938 | |
<I/σ(I)> | 22.9 | 5.1 |
Completeness [%] | 99.9 | 100 |
Redundancy | 10.7 | 10.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 295 | Protein: 7.5 mg/mL, 0.5M NaCl, 0.01M Tris-HCl (pH 8.3), 0.001M Thymidine-5-diphospho-alpha-D-glucose. Screen: PACT (H8), 0.2 Sodium Sulfate, 0.1M TRIS propane, 20% (w/v) PEG 33500, VAPOR DIFFUSION, SITTING DROP, temperature 295K |