3CRX
CRE RECOMBINASE/DNA COMPLEX INTERMEDIATE I
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X25 |
| Synchrotron site | NSLS |
| Beamline | X25 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 1997-05-15 |
| Detector | MARRESEARCH |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 106.300, 122.700, 179.500 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 27.300 - 2.500 |
| R-factor | 0.198 |
| Rwork | 0.198 |
| R-free | 0.26800 |
| Structure solution method | DIFFERENCE FOURIER |
| Starting model (for MR) | 1crx |
| RMSD bond length | 0.007 |
| RMSD bond angle | 23.100 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | X-PLOR |
| Refinement software | X-PLOR (3.851) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.000 | 2.780 |
| High resolution limit [Å] | 2.700 | 2.700 |
| Rmerge | 0.072 * | 0.329 * |
| Number of reflections | 38807 | |
| <I/σ(I)> | 20 | 5 |
| Completeness [%] | 99.0 | 93.2 |
| Redundancy | 4.7 | 4.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 5.7 * | 4 * | 50MM ACETATE PH 5.0, 26% MPD, 80MM MGCL2 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | Cre | 0.065 (M) | |
| 10 | 1 | reservoir | MPD | 24 (%) | |
| 11 | 1 | reservoir | 20 (mM) | ||
| 12 | 1 | reservoir | 200 (mM) | ||
| 2 | 1 | drop | loxS6 half-site | 0.081 (M) | |
| 3 | 1 | drop | sodium acetate | 25 (mM) | |
| 4 | 1 | drop | MPD | 12.5 (%) | |
| 5 | 1 | drop | 5 (mM) | ||
| 6 | 1 | drop | 120 (mM) | ||
| 7 | 1 | drop | dithiothreitol | 2.5 (mM) | |
| 8 | 1 | drop | spermine | 0.5 (mM) | |
| 9 | 1 | reservoir | sodium acetate | 50 (mM) |
