3BPC
co-crystal structure of S25-2 Fab in complex with 5-deoxy-4-epi-2,3-dehydro Kdo (4.8) Kdo
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 |
Detector technology | IMAGE PLATE |
Collection date | 2007-01-07 |
Detector | RIGAKU RAXIS |
Wavelength(s) | 1.54 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 45.850, 81.290, 132.340 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 1.850 |
R-factor | 0.226 |
Rwork | 0.224 |
R-free | 0.27300 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.018 |
RMSD bond angle | 1.723 |
Data scaling software | d*TREK (9.4SSI) |
Phasing software | PHASER |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 19.970 | 19.970 | 1.860 |
High resolution limit [Å] | 1.800 | 3.870 | 1.800 |
Rmerge | 0.073 | 0.049 | 0.228 |
Total number of observations | 14350 | 17155 | |
Number of reflections | 44150 | ||
<I/σ(I)> | 9 | 24 | 4 |
Completeness [%] | 94.5 | 86.4 | 99.5 |
Redundancy | 3.49 | 3.2 | 3.73 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 8 | PEG 4000, ethelyene glycol, pH 8.0, VAPOR DIFFUSION |