6NSD
Tar14, tryptophan C-6 flavin-dependent halogenase (chlorinase) from taromycin biosynthesis
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.2.1 |
Synchrotron site | ALS |
Beamline | 8.2.1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2018-02-15 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9999 |
Spacegroup name | P 1 |
Unit cell lengths | 51.351, 68.212, 85.362 |
Unit cell angles | 104.68, 103.77, 106.42 |
Refinement procedure
Resolution | 41.740 - 1.740 |
R-factor | 0.1652 |
Rwork | 0.164 |
R-free | 0.19570 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5lv9 |
RMSD bond length | 0.006 |
RMSD bond angle | 0.872 |
Data reduction software | XDS |
Data scaling software | autoPROC |
Phasing software | PHASER |
Refinement software | PHENIX ((1.14_3260: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 61.430 | 1.770 |
High resolution limit [Å] | 1.740 | 1.740 |
Rmerge | 0.113 | 0.485 |
Number of reflections | 100573 | 5046 |
<I/σ(I)> | 5.3 | 2.2 |
Completeness [%] | 95.9 | 95.6 |
Redundancy | 3.8 | 3.7 |
CC(1/2) | 0.990 | 0.790 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 283 | 0.1 M BisTris methane (pH 6.5), 0.35 M Li2SO4, 28% PEG 3350 |