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 |
