4G1K
Crystal structure of triosephosphate isomerase from Burkholderia thailandensis
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.3 |
Synchrotron site | ALS |
Beamline | 5.0.3 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-06-29 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9765 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 79.510, 94.750, 170.610 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.000 - 2.350 |
R-factor | 0.1712 |
Rwork | 0.170 |
R-free | 0.20230 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.014 |
RMSD bond angle | 1.476 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER (2.3.0) |
Refinement software | REFMAC (5.6.0117) |
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 | 0.121 | 0.024 | 0.506 |
Number of reflections | 54461 | 691 | 3989 |
<I/σ(I)> | 15.3 | 51.37 | 3.83 |
Completeness [%] | 99.9 | 98.6 | 99.8 |
Redundancy | 6.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.6 | 289 | ButhA.00317.a.A1 PS01252 at 18 mg/mL against JCSG+ condition B7, 0.1 M Na acetate pH 4.6, 8% PEG 4000 with 20% ethylene glycol as cryo-protectant, crystal tracking ID 227610b7, unique puck ID kyb3-5, VAPOR DIFFUSION, SITTING DROP, temperature 289K |