6H43
Flavin-dependent Tryptophan 6-halogenase Thal
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1) |
Synchrotron site | PETRA III, EMBL c/o DESY |
Beamline | P13 (MX1) |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-04-20 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.9 |
Spacegroup name | P 64 |
Unit cell lengths | 139.470, 139.470, 142.510 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 49.890 - 2.200 |
R-factor | 0.17168 |
Rwork | 0.170 |
R-free | 0.21110 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2oam 2aqj 2weu 5hy5 |
RMSD bond length | 0.011 |
RMSD bond angle | 1.457 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0222) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 49.890 | 2.260 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmeas | 0.140 | 1.841 |
Number of reflections | 79654 | 5887 |
<I/σ(I)> | 11.5 | 2 |
Completeness [%] | 100.0 | 100 |
Redundancy | 8.5 | 8.4 |
CC(1/2) | 0.998 | 0.634 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | reservoir: 0.1 M Tris pH 8.5, 1.5 M K2HPO4/KH2PO4 protein concentration: ~ 15mg/mL drop ratio: 2:1 (P:R) protein buffer: 10 mM Tris pH 7.4, 50 mM NaCl and 1 mM TCEP |