386D
THREE-DIMENSIONAL STRUCTURE AND REACTIVITY OF A PHOTOCHEMICAL CLEAVAGE AGENT BOUND TO DNA
Experimental procedure
Source type | ROTATING ANODE |
Source details | RIGAKU RU200 |
Temperature [K] | 136 |
Detector technology | AREA DETECTOR |
Detector | SDMS |
Spacegroup name | P 65 2 2 |
Unit cell lengths | 31.020, 31.020, 64.910 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 10.000 - 1.800 |
R-factor | 0.196 |
Rwork | 0.196 |
R-free | 0.26800 |
RMSD bond length | 0.014 |
RMSD bond angle | 3.025 * |
Phasing software | MAD |
Refinement software | X-PLOR (3.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 10.000 * | 1.880 |
High resolution limit [Å] | 1.800 * | 1.800 |
Rmerge | 0.077 | |
Total number of observations | 24530 * | |
Number of reflections | 1972 * | |
Completeness [%] | 65.6 | |
Redundancy | 12.44 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | pH 6.50, VAPOR DIFFUSION, SITTING DROP |
Crystallization Reagents
ID | crystal ID | solution ID | reagent name | concentration | details |
1 | 1 | 1 | WATER | ||
2 | 1 | 1 | NA CACODYLATE | ||
3 | 1 | 1 | MGCL2 | ||
4 | 1 | 1 | MPD | ||
5 | 1 | 1 | SPERMINE_HCL | ||
6 | 1 | 2 | WATER | ||
7 | 1 | 2 | MPD |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | protein | 1.8 (M) | |
2 | 1 | drop | sodium cacodylate | 21 (M) | |
3 | 1 | drop | 3.3 (mM) | ||
4 | 1 | drop | 1.1 (%) | ||
5 | 1 | drop | spermine trihydrochloride | 0.8 (mM) | |
6 | 1 | drop | AQS2 | 1.5 (mM) | |
7 | 1 | reservoir | 10 (%) |