7ARP
Native L-2-haloacid dehalogenase from Zobellia galactanivorans
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SOLEIL BEAMLINE PROXIMA 2 |
Synchrotron site | SOLEIL |
Beamline | PROXIMA 2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-06-25 |
Detector | DECTRIS EIGER X 9M |
Wavelength(s) | 0.97986 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 59.535, 68.826, 103.742 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.027 - 1.780 |
R-factor | 0.1564 |
Rwork | 0.155 |
R-free | 0.17740 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2yml |
Data reduction software | XDS |
Data scaling software | Aimless (0.7.1) |
Phasing software | PHENIX |
Refinement software | PHENIX (1.13_2998) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 45.030 | 45.030 | 1.820 |
High resolution limit [Å] | 1.780 | 9.080 | 1.780 |
Rmerge | 0.098 | 0.056 | 0.745 |
Rmeas | 0.102 | 0.059 | 0.774 |
Rpim | 0.028 | 0.017 | 0.208 |
Number of reflections | 41657 | 380 | 2364 |
<I/σ(I)> | 15.2 | 1.1 | |
Completeness [%] | 100.0 | 99.4 | 100 |
Redundancy | 13.5 | 11 | 13.7 |
CC(1/2) | 0.998 | 0.998 | 0.896 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 292 | 31% PEG 3350, 0.33 M potassium thiocyanate |