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) |