5IDT
Crystal Structure of a Glucose-1-phosphate Thymidylyltransferase from Burkholderia vietnamiensis with bound Thymidine
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 | 2016-02-03 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.97872 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 112.110, 114.860, 95.780 |
Unit cell angles | 90.00, 90.58, 90.00 |
Refinement procedure
Resolution | 48.163 - 2.350 |
R-factor | 0.1784 |
Rwork | 0.176 |
R-free | 0.23100 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1fxo |
RMSD bond length | 0.008 |
RMSD bond angle | 0.991 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MoRDa |
Refinement software | PHENIX ((dev_2271: ???)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.410 | |
High resolution limit [Å] | 2.350 | 10.510 | 2.350 |
Rmerge | 0.047 | 0.021 | 0.588 |
Number of reflections | 50137 | ||
<I/σ(I)> | 20.59 | 55.97 | 3.08 |
Completeness [%] | 99.2 | 92.8 | 99 |
Redundancy | 3.84 | ||
CC(1/2) | 0.999 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 290 | BuviA.00118.c.B1.PS02537 at 20.28 mg/ml was incubated with 3 mM thymidine, then mixed 1:1 with JCSG+(g4): 0.2 M trimethylamine n-oxide, 20% (w/v) PEG-2000 MME, 0.1M Tris base/HCl, pH = 8.5, cryoprotected with 20% ethylene glycol |