8TTJ
Tryptophan-6-halogenase BorH complexed with 6-chlorotryptophan
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-D |
Synchrotron site | APS |
Beamline | 21-ID-D |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-07-08 |
Detector | DECTRIS EIGER X 9M |
Wavelength(s) | 1.033 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 73.520, 157.971, 112.580 |
Unit cell angles | 90.00, 104.06, 90.00 |
Refinement procedure
Resolution | 35.470 - 1.980 |
R-factor | 0.1997 |
Rwork | 0.199 |
R-free | 0.23650 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.002 |
RMSD bond angle | 0.532 |
Data reduction software | MOSFLM |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX ((1.19.2_4158: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 35.470 | 2.051 |
High resolution limit [Å] | 1.980 | 1.980 |
Rmerge | 0.099 | 0.770 |
Rmeas | 0.140 | |
Rpim | 0.099 | 0.770 |
Number of reflections | 169702 | 16993 |
<I/σ(I)> | 4.91 | 1.06 |
Completeness [%] | 98.2 | 28.67 |
Redundancy | 2 | 2 |
CC(1/2) | 0.987 | 0.247 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 298 | 0.1 M Bis-Tris pH 6.5 300 mM (NH4)2SO4 19% (w/v) PEG 8000. |