4HII
Anti-Streptococcus pneumoniae 23F Fab 023.102 with bound rhamnose-galactose
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 | 2010-02-16 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 1.5418 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 144.400, 66.900, 119.100 |
Unit cell angles | 90.00, 111.90, 90.00 |
Refinement procedure
Resolution | 17.000 - 2.300 |
R-factor | 0.243 |
Rwork | 0.243 |
R-free | 0.25600 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4hie |
RMSD bond length | 0.005 |
RMSD bond angle | 1.596 |
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 | 2.350 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.040 | 0.237 |
Number of reflections | 44921 | |
<I/σ(I)> | 24.88 | 2.92 |
Completeness [%] | 94.9 | 67.6 |
Redundancy | 1.75 | 1.07 |
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 |