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 (%) |
