1H8G
C-terminal domain of the major autolysin (C-LytA) from Streptococcus pneumoniae
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE X11 |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | X11 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2000-07-15 |
| Detector | MARRESEARCH |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 97.571, 97.571, 68.482 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 * - 2.400 |
| R-factor | 0.219 |
| Rwork | 0.219 |
| R-free | 0.26300 |
| Structure solution method | MAD |
| RMSD bond length | 0.006 * |
| RMSD bond angle | 1.230 * |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | CNS |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.530 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.048 * | 0.368 * |
| Total number of observations | 117161 * | |
| Number of reflections | 13018 * | |
| <I/σ(I)> | 9.7 | 1.6 |
| Completeness [%] | 97.8 | 97.9 |
| Redundancy | 3 | 2.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, sitting drop * | 6.5 * | 295 * | 30% MPD, 0.2 M NACL, 0.1 M NA-ACETATE, PH 4.6, 0.2 M GUANIDINE-HCL, 0.15 M CHOLINE-CL. |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 17 (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 | MPD | 30 (%(v/v)) | |
| 6 | 1 | reservoir | 0.2 (M) | ||
| 7 | 1 | reservoir | sodium acetate | 0.1 (M) | pH4.6 |
| 8 | 1 | reservoir | guanidine-HCl | 0.2 (M) |
