2PKE
Crystal structure of haloacid delahogenase-like family hydrolase (NP_639141.1) from Xanthomonas campestris at 1.81 A resolution
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL9-2 |
| Synchrotron site | SSRL |
| Beamline | BL9-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-04-01 |
| Detector | MARMOSAIC 325 mm CCD |
| Wavelength(s) | 0.91162, 0.97936 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 34.160, 107.100, 62.560 |
| Unit cell angles | 90.00, 102.29, 90.00 |
Refinement procedure
| Resolution | 29.386 - 1.810 |
| R-factor | 0.181 |
| Rwork | 0.178 |
| R-free | 0.22900 |
| Structure solution method | MAD |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.596 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | SHELX |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 29.386 | 1.870 | |
| High resolution limit [Å] | 1.810 | 3.090 | 1.810 |
| Rmerge | 0.056 | 0.034 | 0.350 |
| Number of reflections | 37341 | ||
| <I/σ(I)> | 7.74 | 15.4 | 1.6 |
| Completeness [%] | 82.4 | 94.3 | 45.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 277 | NANODROP, 0.2M MgCl2, 20.0% PEG 8000, 0.1M Tris-HCl pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
