3HIA
Crystal structure of the choline binding domain of Spr1274 in Streptococcus pneumoniae
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2008-07-17 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 1.5418 |
| Spacegroup name | H 3 |
| Unit cell lengths | 140.610, 140.610, 46.050 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 20.000 - 2.380 |
| R-factor | 0.22852 |
| Rwork | 0.223 |
| R-free | 0.26509 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2v05 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.245 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 70.360 | 2.420 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.072 | 0.400 |
| Number of reflections | 15041 | |
| <I/σ(I)> | 14.26 | 3.38 |
| Redundancy | 3.79 | 3.79 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 291 | 1.75M (NH4)2SO4, 0.1M MES, pH 6.5, 10% dioxane, VAPOR DIFFUSION, SITTING DROP, temperature 291K |
