1PVR
BASIS FOR A SWITCH IN SUBSTRATE SPECIFICITY: CRYSTAL STRUCTURE OF SELECTED VARIANT OF CRE SITE-SPECIFIC RECOMBINASE, LNSGG BOUND TO THE LOXP (WILDTYPE) RECOGNITION SITE
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 | 2002-06-12 |
| Detector | MACSCIENCE |
| Wavelength(s) | 1.08 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 107.390, 121.570, 179.950 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 5.000 - 2.650 |
| R-factor | 0.212 |
| Rwork | 0.212 |
| R-free | 0.28700 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 1kbu |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.300 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | TNT |
| Refinement software | TNT |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 90.000 | 2.740 |
| High resolution limit [Å] | 2.650 | 2.650 |
| Rmerge | 0.043 | 0.375 |
| Number of reflections | 33418 | |
| <I/σ(I)> | 17.8 | 3.5 |
| Completeness [%] | 97.0 * | 99 * |
| Redundancy | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion * | 5.5 | 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 | LNSGG/LoxP | 22.5 (%) | pH5.5 |
