1PQK
Repacking of the Core of T4 Lysozyme by Automated Design
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL7-1 |
| Synchrotron site | SSRL |
| Beamline | BL7-1 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2002-05-23 |
| Detector | MARRESEARCH |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 156.230, 67.280, 61.650 |
| Unit cell angles | 90.00, 112.43, 90.00 |
Refinement procedure
| Resolution | 72.500 - 2.000 |
| R-factor | 0.18 |
| Rwork | 0.177 |
| R-free | 0.27700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.020 * |
| RMSD bond angle | 2.900 * |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | TNT |
| Refinement software | TNT |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 23.702 | 2.110 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.052 | 0.188 |
| Number of reflections | 40412 | |
| <I/σ(I)> | 12.1 | 4.1 |
| Completeness [%] | 96.0 | 91 * |
| Redundancy | 3.4 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion * | 6.7 | 277 | Potassium phosphate, sodium PHOSPHATE, NaCl, BME, pH 6.7, VAPOR DIFFUSION, HANGING DROP, temperature 277K, pH 6.70 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | PEG3400 | 25 (%) | |
| 2 | 1 | reservoir | PEG600 | 5 (%) | |
| 3 | 1 | reservoir | 200 (mM) | ||
| 4 | 1 | reservoir | sodium potassium phosphate | 100 (mM) | pH6.7 |
