1NJK
Crystal Structure of YbaW Probable Thioesterase from Escherichia coli
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2002-06-06 |
| Detector | SBC-2 |
| Wavelength(s) | 0.97919, 0.97932, 0.94644 |
| Spacegroup name | P 31 |
| Unit cell lengths | 90.134, 90.134, 83.373 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 35.350 - 1.900 |
| R-factor | 0.217 |
| Rwork | 0.214 |
| R-free | 0.24000 |
| Structure solution method | MAD |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.100 |
| Data reduction software | d*TREK |
| Data scaling software | HKL-2000 |
| Phasing software | CNS |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 35.350 | 1.970 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.079 | 0.543 |
| Number of reflections | 58773 | |
| <I/σ(I)> | 8.2 | 2.2 |
| Completeness [%] | 98.5 | 87 |
| Redundancy | 7.2 | 5.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 298 | Ammonium iodide, Calcium Acetate, PEG 3350, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
