3E29
X-Ray structure of the protein Q7WE92_BORBR from thioesterase superfamily. Northeast Structural Genomics Consortium Target BoR214A.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X4A |
Synchrotron site | NSLS |
Beamline | X4A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-07-22 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.979 |
Spacegroup name | P 61 |
Unit cell lengths | 112.523, 112.523, 119.660 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 28.590 - 2.400 |
R-factor | 0.22255 |
Rwork | 0.221 |
R-free | 0.25829 |
Structure solution method | SAD |
RMSD bond length | 0.010 |
RMSD bond angle | 1.190 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | SnB |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.490 |
High resolution limit [Å] | 2.400 | 2.400 |
Rmerge | 0.092 | 0.388 |
Number of reflections | 65285 | |
<I/σ(I)> | 21.2 | 4.8 |
Completeness [%] | 98.2 | 97 |
Redundancy | 5.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | Tri Ammonium Citrate 0.20M PEG3350 20%, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |