6TFT
Linalool Dehydratase Isomerase C171A mutant
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04-1 |
Synchrotron site | Diamond |
Beamline | I04-1 |
Temperature [K] | 120 |
Detector technology | PIXEL |
Collection date | 2017-02-27 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.92819 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 89.606, 111.814, 120.934 |
Unit cell angles | 90.00, 102.24, 90.00 |
Refinement procedure
Resolution | 87.720 - 2.520 |
R-factor | 0.2207 |
Rwork | 0.219 |
R-free | 0.25390 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5g1u |
RMSD bond length | 0.008 |
RMSD bond angle | 1.498 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 87.720 | 2.570 |
High resolution limit [Å] | 2.520 | 2.520 |
Rmerge | 0.080 | 0.680 |
Rpim | 0.090 | 0.660 |
Number of reflections | 78481 | 4473 |
<I/σ(I)> | 6.7 | 0.9 |
Completeness [%] | 99.6 | |
Redundancy | 3.4 | |
CC(1/2) | 1.000 | 0.650 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 298 | bis-Tris propane pH 5.5; 25% PEG 2000MME; 0.2 M potassium bromide |