8FOV
AbeH (Tryptophan-5-halogenase) bound to FAD and Cl
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-F |
Synchrotron site | APS |
Beamline | 21-ID-F |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2018-11-07 |
Detector | RAYONIX MX-300 |
Wavelength(s) | 0.97872 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 56.710, 112.290, 173.590 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 56.140 - 1.860 |
R-factor | 0.1661 |
Rwork | 0.166 |
R-free | 0.19430 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.004 |
RMSD bond angle | 0.638 |
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] | 56.140 | 1.926 |
High resolution limit [Å] | 1.860 | 1.860 |
Rmerge | 0.064 | 0.380 |
Rmeas | 0.091 | 0.537 |
Rpim | 0.064 | 0.380 |
Number of reflections | 93637 | 9276 |
<I/σ(I)> | 7.1 | 2.06 |
Completeness [%] | 99.6 | 99.96 |
Redundancy | 2 | 2 |
CC(1/2) | 0.990 | 0.708 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.2 | 293 | Drop:1:1 ratio of reservoir solution and (50uM AbeH/25 mM FAD in 20 mM HEPES pH 7.2 and 35 mM sodium citrate); Reservoir (500 uL): 0.1 M Bis-Tris pH 6.2, 0.2 M magnesium acetate, 11% (v/v) PEG 10,000 |