4M7J
Crystal structure of S25-26 in complex with Kdo(2.8)Kdo(2.4)Kdo trisaccharide
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CLSI BEAMLINE 08ID-1 |
Synchrotron site | CLSI |
Beamline | 08ID-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-08-23 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.9794 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 74.464, 74.464, 149.893 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 24.450 - 1.950 |
R-factor | 0.2134 |
Rwork | 0.212 |
R-free | 0.24700 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1t2q |
RMSD bond length | 0.011 |
RMSD bond angle | 1.482 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 25.000 | 25.000 | 2.020 |
High resolution limit [Å] | 1.950 | 4.200 | 1.950 |
Rmerge | 0.064 | 0.046 | 0.556 |
Number of reflections | 35967 | ||
<I/σ(I)> | 11 | ||
Completeness [%] | 99.9 | 99.5 | 100 |
Redundancy | 13.7 | 12.9 | 12.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | 0.2M potassium chloride, 0.05M HEPES, 35% (v/v) pentaerythritol propoxylate (5/4 PO/OH), pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |