5IFY
Crystal structure of Glucose-1-phosphate thymidylyltransferase from Burkholderia vietnamiensis in complex with 2 -Deoxyuridine-5'-monophosphate and 2'-Deoxy-Thymidine-B-L-Rhamnose
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-F |
Synchrotron site | APS |
Beamline | 21-ID-F |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-12-19 |
Detector | RAYONIX MX-300 |
Wavelength(s) | 0.97856 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 109.600, 254.720, 82.050 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.197 - 2.250 |
R-factor | 0.1576 |
Rwork | 0.157 |
R-free | 0.19700 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1fxo chain A |
RMSD bond length | 0.009 |
RMSD bond angle | 0.995 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | PHENIX (dev_2328) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 46.197 | 46.197 | 2.310 |
High resolution limit [Å] | 2.250 | 10.060 | 2.250 |
Rmerge | 0.075 | 0.035 | 0.484 |
Number of reflections | 109242 | ||
<I/σ(I)> | 14.52 | 33.81 | 3.07 |
Completeness [%] | 99.5 | 92.3 | 99.9 |
Redundancy | 5 | ||
CC(1/2) | 0.997 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 290 | MCSG1 b8: 25.5% PEG 4000, 15% Glycerol, 170mM NaOAc, 100mM Tris base/HCl pH 8.5 BuviA.00118.a.B1.PS02510 (21mg/ml) + 4mM each Glucose-1-phosphate, dUTP (neither of which is bound); cryo: direct; tray 267382b8, puck zto7-1 |