1PVP
BASIS FOR A SWITCH IN SUBSTRATE SPECIFICITY: CRYSTAL STRUCTURE OF SELECTED VARIANT OF CRE SITE-SPECIFIC RECOMBINASE, ALSHG BOUND TO THE ENGINEERED RECOGNITION SITE LOXM7
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 | 2002-06-13 |
Detector | MARRESEARCH |
Wavelength(s) | 1.08 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 107.780, 121.470, 180.690 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 5.000 - 2.350 |
R-factor | 0.232 |
Rwork | 0.232 |
R-free | 0.29400 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 1kbu |
RMSD bond length | 0.006 |
RMSD bond angle | 1.200 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | TNT |
Refinement software | TNT |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 81.000 | 2.430 |
High resolution limit [Å] | 2.350 | 2.350 |
Rmerge | 0.037 | 0.365 |
Number of reflections | 46927 | |
<I/σ(I)> | 22.7 | 3.7 |
Completeness [%] | 95.0 * | 88 |
Redundancy | 3.6 | 4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion * | 5.75 | 21-25 * | Martin, S.S., (2002) J.Mol.Biol., 319, 107. * |
Crystallization Reagents
ID | crystal ID | solution ID | reagent name | concentration | details |
1 | 1 | 1 | Sodium Acetate | ||
2 | 1 | 1 | Calcium Chloride | ||
3 | 1 | 1 | 2,4-methylpentanediol | ||
4 | 1 | 1 | H2O | ||
5 | 1 | 2 | Sodium Acetate | ||
6 | 1 | 2 | Calcium Chloride | ||
7 | 1 | 2 | 2,4-methylpentanediol | ||
8 | 1 | 2 | H2O |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | protein | 35-45 (mg/ml) | |
2 | 1 | reservoir | sodium acetate | 25 (mM) | |
3 | 1 | reservoir | 40 (mM) | ||
4 | 1 | reservoir | 20 (mM) | ||
5 | 1 | reservoir | ALSHG/LoxM7 | 22.5 (%) | pH5.75 |