5GZX
The complex structure of D-2-haloacid dehalogenase mutant with D-2-CPA
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 | 72.300, 95.687, 108.813 |
| Unit cell angles | 90.00, 108.03, 90.00 |
Refinement procedure
| Resolution | 49.320 - 2.350 |
| R-factor | 0.2034 |
| Rwork | 0.201 |
| R-free | 0.25590 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3bjx |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.091 |
| Data scaling software | HKL-2000 (2000) |
| Phasing software | PHENIX (1.9-1692) |
| Refinement software | PHENIX (1.9-1692) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 49.320 |
| High resolution limit [Å] | 2.350 |
| Number of reflections | 57707 |
| <I/σ(I)> | 9.2 |
| Completeness [%] | 98.0 |
| Redundancy | 6.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 289 | PEG 20000, PEG 8000, MES, potassium sodium tartrate tetrahydrate, BaCl2 |
