6RHA
Crystal structure of the amyloid-like NTVTFN 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 | 2015-05-10 |
Detector | DECTRIS PILATUS3 2M |
Wavelength(s) | 0.8729 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 4.870, 39.810, 20.260 |
Unit cell angles | 90.00, 90.01, 90.00 |
Refinement procedure
Resolution | 19.910 - 1.600 |
R-factor | 0.1998 |
Rwork | 0.198 |
R-free | 0.21280 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | beta strand |
RMSD bond length | 0.014 |
RMSD bond angle | 1.634 |
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] | 19.910 | 19.910 | 1.690 |
High resolution limit [Å] | 1.600 | 5.060 | 1.600 |
Rmerge | 0.270 | 0.145 | 1.005 |
Rmeas | 0.280 | 0.151 | 1.084 |
Total number of observations | 14151 | ||
Number of reflections | 991 | 24 | 126 |
<I/σ(I)> | 7.3 | 11.94 | 2.2 |
Completeness [%] | 98.2 | 96 | 90 |
Redundancy | 14.28 | 16.375 | 7.087 |
CC(1/2) | 0.975 | 0.987 | 0.727 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | Reservoir contained 0.1M HEPES 7.5 pH, 0.8 M NaH2PO4, and 0.8M KH2PO4 |