5H01
The crystal structure of D-2-halacid dehalogenase mutant
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL19U1 |
Synchrotron site | SSRF |
Beamline | BL19U1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2016-03-29 |
Detector | MAR CCD 165 mm |
Wavelength(s) | 0.97853 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 89.713, 97.181, 93.750 |
Unit cell angles | 90.00, 107.53, 90.00 |
Refinement procedure
Resolution | 48.591 - 2.194 |
R-factor | 0.2562 |
Rwork | 0.253 |
R-free | 0.31220 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3bjx |
RMSD bond length | 0.009 |
RMSD bond angle | 1.210 |
Data scaling software | HKL-2000 (2000) |
Phasing software | Coot (0.8.2) |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.591 | 2.230 |
High resolution limit [Å] | 2.190 | 2.190 |
Rmerge | 0.178 | |
Number of reflections | 75088 | |
<I/σ(I)> | 7.8 | |
Completeness [%] | 95.6 | |
Redundancy | 6.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 289 | MES, PEG 20000, PEG 8000, potassium sodium tartrate tetrahydrate |