6PMU
Structural Characterization of Beta Cyanoalanine Synthase from Tetranychus Urticae
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-ID |
Synchrotron site | APS |
Beamline | 22-ID |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-06-10 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.0000 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 91.387, 91.387, 137.426 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.000 - 2.100 |
R-factor | 0.1821 |
Rwork | 0.180 |
R-free | 0.22340 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3vbe |
RMSD bond length | 0.008 |
RMSD bond angle | 1.515 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0253) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.000 | 2.140 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.098 | 0.428 |
Rmeas | 0.111 | 0.476 |
Rpim | 0.051 | 0.202 |
Number of reflections | 30969 | 1700 |
<I/σ(I)> | 39 | 3.7 |
Completeness [%] | 88.6 | 99 |
Redundancy | 4.6 | 5.4 |
CC(1/2) | 0.880 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 277 | 0.1 M Sodium malonate pH 6.0, 12% PEG 3350 |