6RHD
Crystal structure of the amyloid-like TSYVGV 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 | 2015-12-11 |
Detector | DECTRIS PILATUS3 2M |
Wavelength(s) | 0.8729 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 11.770, 9.360, 16.790 |
Unit cell angles | 90.00, 95.08, 90.00 |
Refinement procedure
Resolution | 16.720 - 1.200 |
R-factor | 0.1082 |
Rwork | 0.106 |
R-free | 0.12650 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.011 |
RMSD bond angle | 1.545 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 16.720 | 16.720 | 1.250 |
High resolution limit [Å] | 1.200 | 4.160 | 1.200 |
Rmerge | 0.200 | 0.104 | 0.855 |
Rmeas | 0.204 | 0.106 | 0.900 |
Total number of observations | 31912 | ||
Number of reflections | 1178 | 35 | 139 |
<I/σ(I)> | 13.66 | 43.55 | 2.49 |
Completeness [%] | 96.2 | 97.2 | 97.9 |
Redundancy | 27.09 | 33.714 | 9.281 |
CC(1/2) | 0.999 | 0.999 | 0.842 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | Reservoir contained 0.1 M Na Acet 4.6 pH, 30 %v/v MPD, 0.2 M NaCl |