1JKR
Testing the Water-Mediated HIN Recombinase DNA Recognition by Systematic Mutations
Experimental procedure
Experimental method | MOLECULAR REPLACEMENT WITH 1IJW HAVING THE PROPER DNA SUBSTITUTIONS AS THE STARTING MODEL. |
Source type | SYNCHROTRON |
Source details | CHESS BEAMLINE A1 |
Synchrotron site | CHESS |
Beamline | A1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 1997-08-01 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 86.087, 82.708, 44.865 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 24.800 - 2.280 |
R-factor | 0.2687 |
Rwork | 0.269 |
R-free | 0.32450 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1ijw |
RMSD bond length | 0.013 |
RMSD bond angle | 1.700 * |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 24.800 | 2.380 |
High resolution limit [Å] | 2.280 | 2.280 |
Rmerge | 0.089 * | 0.252 * |
Number of reflections | 7102 | |
<I/σ(I)> | 15.68 | 2.49 |
Completeness [%] | 93.2 | 72.1 * |
Redundancy | 17. * | 2.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion, sitting drop * | 8.5 | 4 * | HANGING DROP VAPOR DIFFUSION AT 4C, WITH INITIAL CONCENTRATION IN DROP OF 0.10 MM DNA, 0.06 MM HIN, 10 MM TRIS (PH 8.5), 10 MM CACL2, 23 MM NACL, 2.5% V/V PEG400, AND 1.56 MM NA CACODYLATE. RESERVOIR SOLUTION CONTAINS 100 MM TRIS (PH 8.5), 100 MM CACL2, 100 MM NACL, AND 25% PEG400. CONCENTRATION OF PEG400 IN RESERVOIR SOLUTION WAS INCREASED IN 5% INCREMENTS TO 35%., pH 8.50, VAPOR DIFFUSION, HANGING DROP |
Crystallization Reagents
ID | crystal ID | solution ID | reagent name | concentration | details |
1 | 1 | 1 | DNA | ||
10 | 1 | 2 | NaCl | ||
11 | 1 | 2 | PEG 400 | ||
2 | 1 | 1 | HIN | ||
3 | 1 | 1 | TRIS | ||
4 | 1 | 1 | CaCl2 | ||
5 | 1 | 1 | NaCl | ||
6 | 1 | 1 | PEG 400 | ||
7 | 1 | 1 | sodium cacodylate | ||
8 | 1 | 2 | Tris | ||
9 | 1 | 2 | CaCl2 |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | reservoir | 100 (mM) | pH8.5 | |
2 | 1 | reservoir | PEG400 | 25 (%) |