5M6O
Frutapin complexed with alpha-D-mannose
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I24 |
Synchrotron site | Diamond |
Beamline | I24 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-07-08 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.96859 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 73.956, 73.956, 185.238 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 64.050 - 1.700 |
R-factor | 0.1436 |
Rwork | 0.141 |
R-free | 0.19083 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5krp |
RMSD bond length | 0.026 |
RMSD bond angle | 2.477 |
Data reduction software | DIALS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0155) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 185.240 | 1.730 |
High resolution limit [Å] | 1.700 | 1.700 |
Rmerge | 0.133 | 0.907 |
Number of reflections | 65624 | |
<I/σ(I)> | 8.8 | 2.1 |
Completeness [%] | 100.0 | 99.9 |
Redundancy | 6.3 | 6.3 |
CC(1/2) | 0.992 | 0.614 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.4 | 277 | 0.04 M Potassium phosphate monobasic, 16% PEG 8000, |