3UPT
Crystal structure of a transketolase from Burkholderia pseudomallei bound to TPP, calcium and ribose-5-phosphate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.1 |
Synchrotron site | ALS |
Beamline | 5.0.1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-11-11 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97740 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 146.980, 146.980, 142.870 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.000 - 2.400 |
R-factor | 0.1534 |
Rwork | 0.151 |
R-free | 0.20010 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3uk1 |
RMSD bond length | 0.012 |
RMSD bond angle | 1.464 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.460 | |
High resolution limit [Å] | 2.400 | 10.730 | 2.400 |
Rmerge | 0.152 | 0.036 | 0.558 |
Number of reflections | 61439 | 663 | 4471 |
<I/σ(I)> | 17.52 | 51.1 | 4.92 |
Completeness [%] | 99.7 | 82.1 | 100 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 289 | ButhA.01294.a.A1 at 38 mg/mL with 5 mM TPP, 5 mM ribose-5-phosphate, 5 mM CaCl2 against PACT screen condition G2, 0.2 M NaBr, 0.1 M BisTris propane pH 7.5, 20% PEG 3350 cryo-protected with crystallant, compounds and 25% ethylene glycol; crystal tracking ID 227593g2, VAPOR DIFFUSION, SITTING DROP, temperature 289K |