7NFZ
Crystal structure of haloalkane dehalogenase LinB57 mutant (H272F) from Sphingobium japonicum UT26
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06DA |
Synchrotron site | SLS |
Beamline | X06DA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-05-12 |
Detector | DECTRIS PILATUS 2M-F |
Wavelength(s) | 1.0 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 51.496, 65.448, 90.171 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 44.718 - 1.551 |
R-factor | 0.1656 |
Rwork | 0.164 |
R-free | 0.18970 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1mj5 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.19.1-4122) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 45.090 | 1.580 |
High resolution limit [Å] | 1.550 | 1.550 |
Rmerge | 0.193 | 1.907 |
Number of reflections | 44672 | 2129 |
<I/σ(I)> | 11.1 | 1.4 |
Completeness [%] | 99.5 | 97.2 |
Redundancy | 13.5 | |
CC(1/2) | 0.998 | 0.593 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 10.5 | 293.15 | sodium di-hydrogen phosphate, di-potassium hydrogen phosphate, lithium sulphate, CAPS |