1GVM
CHOLINE BINDING DOMAIN OF THE MAJOR AUTOLYSIN (C-LYTA) FROM STREPTOCOCCUS PNEUMONIAE
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2001-09-15 |
| Detector | MAR scanner 345 mm plate |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 56.717, 85.390, 204.136 |
| Unit cell angles | 90.00, 96.54, 90.00 |
Refinement procedure
| Resolution | 8.000 - 2.800 |
| R-factor | 0.226 |
| Rwork | 0.226 |
| R-free | 0.29400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1hcx |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.280 * |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | AMoRE |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 33.000 | 2.950 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Rmerge | 0.090 | 0.280 |
| Total number of observations | 74838 * | |
| Number of reflections | 23628 | |
| <I/σ(I)> | 4.5 | 2.4 |
| Completeness [%] | 98.5 | 98.7 |
| Redundancy | 3.2 | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, sitting drop * | 6.5 * | 295 * | 30% PEG 4000, 0.2 M NA-ACETATE, 0.1 M AMMONIUM-ACETATE, PH 6.4, 0.15 M CHOLINE-CL, 0.4 MM DDAO. |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 10 (mg/ml) | |
| 2 | 1 | drop | Tris-HCl | 50 (mM) | pH6.5 |
| 3 | 1 | drop | 100 (mM) | ||
| 4 | 1 | drop | choline chloride | 150 (mM) | |
| 5 | 1 | reservoir | PEG4000 | 30 (%(w/v)) | |
| 6 | 1 | reservoir | ammonium acetate | 0.2 (M) | |
| 7 | 1 | reservoir | sodium citrate | 0.1 (M) | pH6.4 |
| 8 | 1 | reservoir | DDAO | 0.4 (mM) |
