3OKN
Crystal structure of S25-39 in complex with Kdo(2.4)Kdo(2.4)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 | 2010-06-01 |
Detector | RIGAKU RAXIS |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 45.692, 82.022, 130.594 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.086 - 2.150 |
R-factor | 0.2172 |
Rwork | 0.214 |
R-free | 0.26940 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.021 |
RMSD bond angle | 1.771 |
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] | 19.960 | 19.960 | 2.230 |
High resolution limit [Å] | 2.150 | 4.610 | 2.150 |
Rmerge | 0.042 | 0.024 | 0.285 |
Number of reflections | 27290 | ||
<I/σ(I)> | 12.5 | 35.2 | 3.2 |
Completeness [%] | 99.4 | 96.6 | 100 |
Redundancy | 3.33 | 3.11 | 3.37 |
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 |