4HIJ
Anti-Streptococcus pneumoniae 23F Fab 023.102 with bound L-rhamnose-(1-2)-alpha-D-galactose-(3-O)-phosphate-2-glycerol
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 110 |
Detector technology | IMAGE PLATE |
Collection date | 2010-05-14 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 1.5418 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 143.870, 66.488, 118.214 |
Unit cell angles | 90.00, 111.58, 90.00 |
Refinement procedure
Resolution | 17.000 - 2.100 |
R-factor | 0.249 |
Rwork | 0.249 |
R-free | 0.26200 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4hie |
RMSD bond length | 0.008 |
RMSD bond angle | 1.720 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 17.000 | 2.200 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.049 | 0.258 |
Number of reflections | 55118 | |
<I/σ(I)> | 16.4 | 2.8 |
Completeness [%] | 90.5 | 67.4 |
Redundancy | 1.68 | 1.17 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4 | 298 | 0.05M Na Citrate, pH 3-4, 18% PEG 3350, 0.2M Li Acetate , VAPOR DIFFUSION, HANGING DROP, temperature 298K |