6SLS
Flavin-dependent tryptophan 6-halogenase Thal in complex with FAD
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 | 2018-06-18 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.97630 |
Spacegroup name | P 64 |
Unit cell lengths | 138.560, 138.560, 142.050 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 49.640 - 2.320 |
R-factor | 0.1833 |
Rwork | 0.181 |
R-free | 0.22460 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6h43 |
RMSD bond length | 0.008 |
RMSD bond angle | 1.507 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.370 |
High resolution limit [Å] | 2.320 | 2.320 |
Rmerge | 0.061 | 1.904 |
Rmeas | 0.064 | 1.944 |
Rpim | 0.020 | 0.590 |
Number of reflections | 66881 | 4488 |
<I/σ(I)> | 28.5 | 1.8 |
Completeness [%] | 100.0 | 100 |
Redundancy | 20.8 | 21.4 |
CC(1/2) | 1.000 | 0.812 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.8 | 293.5 | reservoir: 0.1 M HEPES pH 7.8, 1.3 M K2HPO4/NaH2PO4 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 |