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 |