8TTI
Trp-6-Halogenase BorH complexed with FAD and Trp
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 | 73.680, 157.410, 112.830 |
Unit cell angles | 90.00, 104.06, 90.00 |
Refinement procedure
Resolution | 54.720 - 1.980 |
R-factor | 0.2293 |
Rwork | 0.229 |
R-free | 0.27010 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.003 |
RMSD bond angle | 0.493 |
Data reduction software | MOSFLM |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 54.720 | 54.720 | 2.050 |
High resolution limit [Å] | 1.980 | 4.270 | 1.980 |
Rmerge | 0.135 | 0.046 | 1.316 |
Rmeas | 0.190 | 0.065 | 1.861 |
Rpim | 0.135 | 0.046 | 1.316 |
Number of reflections | 163198 | 15827 | 16589 |
<I/σ(I)> | 3.7 | 9.5 | 0.62 |
Completeness [%] | 94.6 | 90.6 | |
Redundancy | 1.9 | 1.9 | 1.9 |
CC(1/2) | 0.980 | 0.988 | 0.100 |
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. |