302D
META-HYDROXY ANALOGUE OF HOECHST 33258 ('HYDROXYL IN' CONFORMATION) BOUND TO D(CGCGAATTCGCG)2
Experimental procedure
| Source type | ROTATING ANODE |
| Temperature [K] | 293 |
| Detector technology | AREA DETECTOR |
| Collection date | 1995-09-08 |
| Detector | XENTRONICS |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 24.620, 40.350, 66.230 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 8.000 - 2.200 |
| R-factor | 0.202 |
| Rwork | 0.202 |
| Starting model (for MR) | BDL020 |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.370 |
| Data reduction software | XENGEN |
| Refinement software | X-PLOR |
Data quality characteristics
| Overall | |
| High resolution limit [Å] | 2.200 |
| Rmerge | 0.045 |
| Number of reflections | 3292 |
| Completeness [%] | 93.0 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 18 * | pH 7.00, VAPOR DIFFUSION, HANGING DROP, temperature 291.00K |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | WATER | ||
| 2 | 1 | 1 | MPD | ||
| 3 | 1 | 1 | NA CACODYLATE | ||
| 4 | 1 | 1 | MGCL2 | ||
| 5 | 1 | 2 | WATER | ||
| 6 | 1 | 2 | MPD |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | MPD | 13 (%(w/v)) | |
| 2 | 1 | drop | drug | 0.9 (mM) | |
| 3 | 1 | drop | 36 (mM) | ||
| 4 | 1 | drop | dodecamer | 0.5 (mM) | |
| 5 | 1 | reservoir | MPD | 35 (%(w/v)) |
