3V1K
Crystal Structure of the H265Q mutant of a C-C hydrolase, BphD from Burkholderia xenovorans LB400.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-D |
| Synchrotron site | APS |
| Beamline | 23-ID-D |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-02-27 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 64 |
| Unit cell lengths | 135.992, 135.992, 65.767 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 117.770 - 2.130 |
| R-factor | 0.2019 |
| Rwork | 0.200 |
| R-free | 0.24480 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.268 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER (2.1.4) |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 117.770 | 50.000 | 2.200 |
| High resolution limit [Å] | 2.125 | 4.570 | 2.120 |
| Rmerge | 0.122 | 0.057 | 0.948 |
| Number of reflections | 39177 | ||
| <I/σ(I)> | 10.4 | ||
| Completeness [%] | 99.9 | 99.4 | 100 |
| Redundancy | 10.4 | 10.6 | 8.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.6 | 298 | 2.4 M Sodium malonate, 3 % v/v Ethylene glycol, pH 6.6, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
