2ODI
Restriction Endonuclease BCNI-Cognate DNA Substrate Complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | MPG/DESY, HAMBURG BEAMLINE BW6 |
| Synchrotron site | MPG/DESY, HAMBURG |
| Beamline | BW6 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-10-04 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.97955 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 81.553, 87.870, 79.391 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 28.380 - 1.450 |
| R-factor | 0.175 |
| Rwork | 0.174 |
| R-free | 0.19900 |
| Structure solution method | MAD |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.192 |
| Data reduction software | MOSFLM |
| Data scaling software | CCP4 ((SCALA)) |
| Phasing software | SHELXD |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.530 |
| High resolution limit [Å] | 1.450 | 1.450 |
| Number of reflections | 99034 | |
| <I/σ(I)> | 8.5 | 2.9 |
| Completeness [%] | 97.8 | 96.3 |
| Redundancy | 3.7 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.6 | 294 | 0.02 M calcium chloride dihydrate, 0.1 M sodium acetate trihydrate pH 4.6 and 30% (v/v) 2-methyl-2,4-pentanediol, VAPOR DIFFUSION, SITTING DROP, temperature 294K |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | calcium chloride dihydrate | ||
| 2 | 1 | 1 | sodium acetate trihydrate | ||
| 3 | 1 | 1 | 2-methyl-2,4-pentanediol | ||
| 4 | 1 | 1 | H2O | ||
| 5 | 1 | 2 | calcium chloride dihydrate | ||
| 6 | 1 | 2 | sodium acetate trihydrate | ||
| 7 | 1 | 2 | 2-methyl-2,4-pentanediol |
