1B1Z
STREPTOCOCCAL PYROGENIC EXOTOXIN A1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE BW7B |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | BW7B |
| Temperature [K] | 290 |
| Detector technology | IMAGE PLATE |
| Collection date | 1997-11-15 |
| Detector | MARRESEARCH |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 127.400, 101.000, 81.800 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.570 |
| R-factor | 0.194 |
| Rwork | 0.194 |
| R-free | 0.27400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | POLYALANINE MODEL OF SEC2 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 28.300 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | X-PLOR (3.851) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.700 |
| High resolution limit [Å] | 2.570 | 2.570 |
| Rmerge | 0.107 * | 0.428 * |
| Total number of observations | 231656 * | |
| Number of reflections | 33531 | |
| <I/σ(I)> | 8.6 | 3.2 |
| Completeness [%] | 97.4 | 84.5 |
| Redundancy | 6.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 6.5 | 16 * | used to seeding * |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | PEG8000 | 17 (%) | |
| 2 | 1 | reservoir | ammonium sulfate | 0.2 (M) | |
| 3 | 1 | reservoir | sodium cacodylate | 0.1 (M) |
