1WRA
Crystal Structure of Phosphorylcholine Esterase Domain of the Virulence Factor Choline Binding Protein E from Streptococcus Pneumoniae
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | ENRAF-NONIUS |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2003-12-01 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.54179 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 98.302, 98.302, 172.600 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 23.840 - 2.000 |
| R-factor | 0.176 |
| Rwork | 0.174 |
| R-free | 0.20400 |
| Structure solution method | SAD |
| RMSD bond length | 0.015 |
| RMSD bond angle | 2.005 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | CCP4 |
| Refinement software | REFMAC (5.1.24) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 23.840 | 2.110 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.080 | 0.400 |
| Number of reflections | 56344 | |
| <I/σ(I)> | 7.7 | 1.8 |
| Completeness [%] | 96.9 | 96.9 |
| Redundancy | 20 | 21.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 288 | MPD, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 288K |
