5GZY
The complex structure of D-2-haloacid dehalogenase with L-LA
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 | 2015-11-27 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.97776 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 72.945, 95.136, 109.058 |
| Unit cell angles | 90.00, 98.09, 90.00 |
Refinement procedure
| Resolution | 47.570 - 2.180 |
| R-factor | 0.1598 |
| Rwork | 0.158 |
| R-free | 0.19690 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3bjx |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.030 |
| 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] | 47.570 |
| High resolution limit [Å] | 2.180 |
| Number of reflections | 76730 |
| <I/σ(I)> | 9.78 |
| Completeness [%] | 99.4 |
| Redundancy | 6.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 277 | MES, PEG 20000, PEG 8000, potassium sodium tartrate tetrahydrate, D-2-chloropropionate |
