8D7F
FlvF from Aspergillus flavus in complex with Bis-Tris
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 24-ID-E |
Synchrotron site | APS |
Beamline | 24-ID-E |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-02-09 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.979 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 90.650, 194.999, 101.370 |
Unit cell angles | 90.00, 106.19, 90.00 |
Refinement procedure
Resolution | 97.350 - 2.620 |
R-factor | 0.2091 |
Rwork | 0.208 |
R-free | 0.24260 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | AlphaFold2 model 1c37a |
RMSD bond length | 0.006 |
RMSD bond angle | 1.169 |
Data reduction software | MOSFLM (7.4.0) |
Data scaling software | Aimless |
Phasing software | PHASER (1.20.1-4487-000) |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 97.350 | 2.720 |
High resolution limit [Å] | 2.620 | 2.620 |
Rmerge | 0.093 | 0.479 |
Rpim | 0.032 | 0.096 |
Number of reflections | 99760 | 9657 |
<I/σ(I)> | 18.7 | 9.4 |
Completeness [%] | 98.9 | 95.8 |
Redundancy | 2 | |
CC(1/2) | 0.983 | 0.474 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 277 | 200 mM magnesium chloride hexahydrate, 100 mM Bis-Tris pH 6.5, 25% PEG 3350, 10 mM yttrium(III) chloride hexahydrate |