3OKD
Crystal structure of S25-39 in complex with Kdo
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-002 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2010-05-27 |
Detector | RIGAKU RAXIS |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 45.747, 82.011, 131.976 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.976 - 1.800 |
R-factor | 0.2355 |
Rwork | 0.233 |
R-free | 0.27540 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.009 |
RMSD bond angle | 1.243 |
Data scaling software | d*TREK (9.7 W8RSSI) |
Phasing software | PHASER (2.1.4) |
Refinement software | PHENIX (1.7_650) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 19.980 | 19.980 | 1.860 |
High resolution limit [Å] | 1.800 | 3.870 | 1.800 |
Rmerge | 0.062 | 0.045 | 0.297 |
Number of reflections | 46591 | ||
<I/σ(I)> | 9.5 | 20.8 | 3.2 |
Completeness [%] | 99.4 | 96.5 | 100 |
Redundancy | 3.65 | 3.49 | 3.42 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | hanging drop | 6.5 | 289 | PEG 3350, MPD, ZnAc, NaCacod, pH 6.5, hanging drop, temperature 289K |