5H00
The crystal structure of D-2-haloacid dehalogenase
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL18U1 |
Synchrotron site | SSRF |
Beamline | BL18U1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-09-17 |
Detector | MAR CCD 165 mm |
Wavelength(s) | 0.97776 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 95.715, 109.396, 138.656 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.240 - 2.640 |
R-factor | 0.1955 |
Rwork | 0.193 |
R-free | 0.25100 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3bjx |
RMSD bond length | 0.010 |
RMSD bond angle | 1.169 |
Data scaling software | HKL-2000 (2000) |
Phasing software | Coot (0.8.2) |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 45.240 |
High resolution limit [Å] | 2.640 |
Number of reflections | 42453 |
<I/σ(I)> | 9.73 |
Completeness [%] | 97.8 |
Redundancy | 8.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 277 | MES, PEG 20000, PEG 8000, potassium sodium tartrate tetrahydrate |