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 |