4HIE
Anti-Streptococcus pneumoniae 23F Fab 023.102
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 | 2010-08-19 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 66.000, 72.600, 94.200 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 17.000 - 1.900 |
R-factor | 0.218 |
Rwork | 0.218 |
R-free | 0.24300 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3eyf |
RMSD bond length | 0.006 |
RMSD bond angle | 1.603 |
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 | 1.950 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.053 | 0.394 |
Number of reflections | 35499 | |
<I/σ(I)> | 21.39 | 2.42 |
Completeness [%] | 97.3 | 75.4 |
Redundancy | 3.32 | 1.55 |
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 |