5VE7
Crystal structure of UTP-glucose-1-phosphate uridylyltransferase from Burkholderia ambifaria in complex with UTP
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU FR-E+ SUPERBRIGHT |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2017-03-21 |
Detector | RIGAKU SATURN 944+ |
Wavelength(s) | 1.5418 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 63.250, 108.480, 124.510 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.092 - 2.300 |
R-factor | 0.1817 |
Rwork | 0.177 |
R-free | 0.22130 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | native structure 5vct |
RMSD bond length | 0.007 |
RMSD bond angle | 0.892 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHENIX |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 39.092 | 2.360 |
High resolution limit [Å] | 2.300 | 10.290 | 2.300 |
Rmerge | 0.064 | 0.028 | 0.308 |
Rmeas | 0.069 | 0.031 | 0.333 |
Number of reflections | 19325 | 255 | 1341 |
<I/σ(I)> | 20.79 | 40.3 | 7.51 |
Completeness [%] | 99.3 | 97.3 | 94.2 |
Redundancy | 7.055 | 6.071 | 7.159 |
CC(1/2) | 0.999 | 0.999 | 0.984 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.07 | 290 | Optimization screen around RigakuReagents JCSG B9: 100mM Sodium citrate / citric acid pH 5.07, 18.73% PEG 6000, BuamA.00118.a.B1.PS37963 at 45.5 mg/ml + 3mM GTP (BSI1746) + 3mM Glucose-1-phosphate (BSI 1952) + 3mM MgCl2, tray 289280h3: cryo: 25% EG in 3 steps: puck kzj0-7. |