7V4S
Horcolin complex with methyl-alpha-mannose
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ELETTRA BEAMLINE 11.2C |
Synchrotron site | ELETTRA |
Beamline | 11.2C |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-09-11 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 1.0 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 42.840, 42.840, 139.201 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 37.128 - 1.200 |
Rwork | 0.209 |
R-free | 0.23460 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1x1v |
RMSD bond length | 0.016 |
RMSD bond angle | 1.981 |
Data reduction software | iMOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.400 | 1.260 |
High resolution limit [Å] | 1.200 | 1.200 |
Rmerge | 0.128 | 0.980 |
Rpim | 0.038 | 0.289 |
Number of reflections | 45978 | 6436 |
<I/σ(I)> | 10.5 | 2.3 |
Completeness [%] | 97.3 | 95 |
Redundancy | 12 | 12 |
CC(1/2) | 0.990 | 0.770 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | MICROBATCH | 298 | 0.2 M Magnesium chloride hexahydrate, 0.1 M TRIS hydrochloride pH 8.5, 30% w/v Polyethylene glycol 4,000 |