Experimental procedure
Source type | ROTATING ANODE |
Source details | ELLIOTT |
Temperature [K] | 277 |
Detector technology | AREA DETECTOR |
Collection date | 1993-03-09 |
Detector | SIEMENS |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 78.500, 78.500, 101.500 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 8.000 - 2.200 |
R-factor | 0.215 |
Rwork | 0.215 |
R-free | 0.27600 |
Structure solution method | MULTIPLE ISOMORPHOUS REPLACEMENT (MIR) |
Starting model (for MR) | ADENYLATE KINASE (PORCINE) PDB ENTRY 1ADK3 |
RMSD bond length | 0.009 |
RMSD bond angle | 24.300 * |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | X-PLOR (3.1) |
Refinement software | X-PLOR (3.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.000 | 2.700 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.075 | 0.052 |
Total number of observations | 119529 * | |
Number of reflections | 16642 | |
<I/σ(I)> | 22.1 | 2.7 |
Completeness [%] | 99.6 | 98.7 |
Redundancy | 7.2 | 3.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion, hanging drop * | 8.8 * | Wiesmuller, L., (1995) FEBS Lett., 363, 22. * |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | protein | 10 (mg/ml) | |
10 | 1 | reservoir | sodium azide | 0.04 (%) | |
11 | 1 | reservoir | DTE | 20 (mM) | |
2 | 1 | drop | PEG3350 | 14 (%(w/v)) | |
3 | 1 | drop | Tris-HCl | 50 (mM) | |
4 | 1 | drop | 100 (mM) | ||
5 | 1 | drop | sodium azide | 0.02 (%) | |
6 | 1 | drop | DTE | 10 (mM) | |
7 | 1 | reservoir | PEG3350 | 28 (%(w/v)) | |
8 | 1 | reservoir | Tris-HCl | 100 (mM) | |
9 | 1 | reservoir | 200 (mM) |