6RHB
Crystal structure of the amyloid-like IATLYV segment from the Candida albicans Agglutinin-like protein (Adhesin) 5
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-2 |
Synchrotron site | ESRF |
Beamline | ID23-2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-09-07 |
Detector | DECTRIS PILATUS3 2M |
Wavelength(s) | 0.8729 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 9.490, 17.870, 22.420 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 13.970 - 1.260 |
R-factor | 0.1002 |
Rwork | 0.100 |
R-free | 0.10390 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | beta strand |
RMSD bond length | 0.007 |
RMSD bond angle | 1.560 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER (2.5.1) |
Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 13.970 | 13.970 | 1.320 |
High resolution limit [Å] | 1.260 | 4.180 | 1.260 |
Rmerge | 0.246 | 0.109 | 0.757 |
Rmeas | 0.258 | 0.115 | 0.795 |
Total number of observations | 12416 | ||
Number of reflections | 1076 | 41 | 90 |
<I/σ(I)> | 6.8 | 15.22 | 2.89 |
Completeness [%] | 91.1 | 97.6 | 58.8 |
Redundancy | 11.539 | 9.829 | 10.933 |
CC(1/2) | 0.995 | 0.997 | 0.971 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | Reservoir contained 0.1M tri-Sodium citrate pH 5.6, 1.0M Ammonium phosphate |