4HGW
Crystal structure of S25-2 in complex with a 5,6-dehydro-Kdo disaccharide
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2007-10-25 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 45.710, 81.300, 131.420 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.920 - 1.650 |
R-factor | 0.1772 |
Rwork | 0.176 |
R-free | 0.19780 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3t77 |
RMSD bond length | 0.015 |
RMSD bond angle | 1.480 |
Data reduction software | d*TREK (9.4SSI) |
Data scaling software | d*TREK |
Phasing software | PHASER |
Refinement software | PHENIX (1.8.1_1168) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 19.920 | 19.920 | 1.710 |
High resolution limit [Å] | 1.650 | 3.550 | 1.650 |
Rmerge | 0.050 | 0.033 | 0.253 |
Total number of observations | 22467 | 21408 | |
Number of reflections | 57408 | ||
<I/σ(I)> | 12.4 | 34 | 4 |
Completeness [%] | 95.9 | 92.9 | 97.6 |
Redundancy | 4 | 3.76 | 3.71 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 8 | 298 | PEG 8000, MgCl, Tris, ZnCl, vapor diffusion, temperature 298K |