1VRK
THE 1.9 ANGSTROM STRUCTURE OF E84K-CALMODULIN RS20 PEPTIDE COMPLEX
Experimental procedure
Source type | ROTATING ANODE |
Source details | RIGAKU RUH2R |
Temperature [K] | 293 |
Detector technology | AREA DETECTOR |
Collection date | 1993-04 |
Detector | XUONG-HAMLIN MULTIWIRE |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 61.209, 40.560, 32.774 |
Unit cell angles | 90.00, 91.70, 90.00 |
Refinement procedure
Resolution | 30.000 - 1.900 |
R-factor | 0.171 |
Rwork | 0.171 |
R-free | 0.24200 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1CDL: SECOND COMPLEX (SEGID B AND F) OF THE ASYMMETRIC UNIT |
RMSD bond length | 0.006 |
RMSD bond angle | 21.300 * |
Data reduction software | SDMS |
Data scaling software | SDMS |
Phasing software | X-PLOR (3.851) |
Refinement software | X-PLOR (3.851) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 18.200 | 2.050 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.065 | 0.237 |
Number of reflections | 11190 | |
<I/σ(I)> | 15 | 2 |
Completeness [%] | 88.0 | 65 |
Redundancy | 3.2 | 1.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion, hanging drop * | 7.5 * | 4 * | pH 4.6 |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | E84K-CaM | 9.6 (mg/ml) | |
10 | 1 | reservoir | 5 (mM) | ||
11 | 1 | reservoir | sodium azide | 0.01 (%) | |
2 | 1 | drop | Tris-HCl | 10 (mM) | |
3 | 1 | drop | peptide | 3 (mg/ml) | |
4 | 1 | drop | PEG8000 | 4 (%) | |
5 | 1 | drop | sodium acetate | 20 (mM) | |
6 | 1 | drop | 1 (mM) | ||
7 | 1 | drop | sodium azide | 0.002 (%) | |
8 | 1 | reservoir | PEG8000 | 20 (%) | |
9 | 1 | reservoir | sodium acetate | 100 (mM) |