6SXR
E221Q mutant of GH54 a-l-arabinofuranosidase soaked with 4-nitrophenyl a-l-arabinofuranoside
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04 |
Synchrotron site | Diamond |
Beamline | I04 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-07-19 |
Detector | DECTRIS EIGER2 X 16M |
Wavelength(s) | 0.9795 |
Spacegroup name | H 3 2 |
Unit cell lengths | 111.970, 111.970, 341.390 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 93.280 - 1.640 |
Rwork | 0.160 |
R-free | 0.18100 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1wd3 |
RMSD bond length | 0.014 |
RMSD bond angle | 1.873 |
Data reduction software | xia2 (0.5.898) |
Data scaling software | DIALS (1.14.9) |
Phasing software | PHASER (2.8.3) |
Refinement software | REFMAC (5.8.0253) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 93.280 | 1.670 |
High resolution limit [Å] | 1.640 | 1.640 |
Rmeas | 0.129 | 2.319 |
Number of reflections | 99211 | 4864 |
<I/σ(I)> | 12.5 | 1 |
Completeness [%] | 98.2 | 97 |
Redundancy | 12.6 | 12.2 |
CC(1/2) | 1.000 | 0.500 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.5 | 293 | 2:1 protein:well solution. 0.1 M pH 4.5 sodium acetate buffer, 60% PEG400, 0.4 M Li2SO4 |