6BE2
Crystal structure of a polysaccharide-binding human Fab (F598)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX1 |
Synchrotron site | Australian Synchrotron |
Beamline | MX1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2016-09-21 |
Detector | ADSC QUANTUM 210r |
Wavelength(s) | 0.9537 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 88.837, 104.067, 104.300 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.914 - 1.700 |
R-factor | 0.1724 |
Rwork | 0.171 |
R-free | 0.20990 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4lld 5eor 3mlx |
RMSD bond length | 0.005 |
RMSD bond angle | 0.881 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHENIX |
Refinement software | PHENIX (1.10.1_2155) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.914 | 1.790 |
High resolution limit [Å] | 1.690 | 1.690 |
Rmerge | 0.051 | 0.689 |
Rmeas | 0.055 | 0.877 |
Number of reflections | 54253 | 8588 |
<I/σ(I)> | 25.19 | 3.08 |
Completeness [%] | 99.7 | 98.7 |
Redundancy | 7.3 | 7.2 |
CC(1/2) | 1.000 | 0.877 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 291 | 20% PEG 4000, 20% iso-propanol, 0.1 M sodium citrate pH5.6 |