7C39
Crystal structure of AofleA from Arthrobotrys oligospora in complex with methylated L-fucose
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17U |
Synchrotron site | SSRF |
Beamline | BL17U |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-10-19 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.9792 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 75.832, 77.103, 136.841 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 42.420 - 1.850 |
R-factor | 0.1541 |
Rwork | 0.152 |
R-free | 0.18490 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7c37 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX (1.14_3260) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.920 |
High resolution limit [Å] | 1.850 | 3.990 | 1.850 |
Rmerge | 0.100 | 0.051 | 0.806 |
Rmeas | 0.109 | 0.056 | 0.921 |
Rpim | 0.044 | 0.023 | 0.434 |
Number of reflections | 68886 | 7283 | 6426 |
<I/σ(I)> | 11.7 | ||
Completeness [%] | 99.1 | 99.6 | 93.9 |
Redundancy | 6 | 5.5 | 3.9 |
CC(1/2) | 0.997 | 0.695 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.4 | 289 | 0.1 M sodium citrate pH 4.4 and 30% (w/v) PEG 1000 |