3UMG
Crystal Structure of the Defluorinating L-2-Haloacid Dehalogenase Rha0230
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 14-BM-C |
Synchrotron site | APS |
Beamline | 14-BM-C |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-08 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.980 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 102.180, 148.650, 152.550 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 38.490 - 2.250 |
R-factor | 0.215 |
Rwork | 0.212 |
R-free | 0.27200 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.018 |
RMSD bond angle | 1.611 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 38.491 | 2.310 | |
High resolution limit [Å] | 2.250 | 10.060 | 2.250 |
Rmerge | 0.069 | 0.016 | 0.468 |
Number of reflections | 107063 | 1166 | 7912 |
<I/σ(I)> | 19.61 | 68.73 | 3.88 |
Completeness [%] | 96.8 | 84.1 | 98 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | 0.6 M trisodium citrate, 0.1 M sodium HEPES, pH 7.5, cryoprotectant: reservoir solution + 16% glycerol, VAPOR DIFFUSION, HANGING DROP, temperature 298K |