8AD8
Flavin-dependent tryptophan 6-halogenase Thal in complex with a D-Trp-Ser dipeptide
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BESSY BEAMLINE 14.2 |
Synchrotron site | BESSY |
Beamline | 14.2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-03-19 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 0.9184 |
Spacegroup name | P 64 |
Unit cell lengths | 137.200, 137.200, 143.800 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 47.980 - 2.950 |
R-factor | 0.19528 |
Rwork | 0.192 |
R-free | 0.24988 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6h43 |
RMSD bond length | 0.007 |
RMSD bond angle | 1.465 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.980 | 3.030 |
High resolution limit [Å] | 2.950 | 2.950 |
Rmeas | 0.154 | 1.540 |
Number of reflections | 32396 | 2386 |
<I/σ(I)> | 16.71 | 1.99 |
Completeness [%] | 100.0 | 100 |
Redundancy | 10.54 | 11.03 |
CC(1/2) | 0.998 | 0.676 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 9 | 293 | Reservoir solution: 100 mM Bicine pH 9.0, 1.6 M KH2PO4/K2HPO4; Protein concentration: 15 mg/ml; Protein buffer: 10 mM Tris pH 7.4, 50 mM NaCl, 1 mM DTT; Drop ratio: 1:1 |