5WH9
Structure of BH1999 gentisyl-coenzyme A thioesterase
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | BRUKER AXS MICROSTAR |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-12-14 |
Detector | Bruker Platinum 135 |
Wavelength(s) | 1.5418 |
Spacegroup name | P 2 2 21 |
Unit cell lengths | 53.656, 80.758, 120.282 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 38.280 - 2.300 |
R-factor | 0.2227 |
Rwork | 0.221 |
R-free | 0.26350 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1bvq |
RMSD bond length | 0.019 |
RMSD bond angle | 1.965 |
Data reduction software | SAINT |
Data scaling software | PROTEUM PLUS |
Phasing software | PHASER |
Refinement software | PHENIX (1.8.2_1309) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 38.300 |
High resolution limit [Å] | 2.300 |
Number of reflections | 21470 |
<I/σ(I)> | 13.7 |
Completeness [%] | 90.0 |
Redundancy | 2.46 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 290 | 100 mM MOPS buffer with 200 mM NaCl and an equal volume of 0.24 M malonate pH 5.8, 18% PEG 3350 |