1QTX
THE 1.65 ANGSTROM STRUCTURE OF CALMODULIN RS20 PEPTIDE COMPLEX
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU200 |
Temperature [K] | 95 |
Detector technology | IMAGE PLATE |
Collection date | 1996-01-08 |
Detector | RIGAKU RAXIS IIC |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 70.046, 55.344, 41.528 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.595 - 1.650 |
R-factor | 0.185 |
Rwork | 0.185 |
R-free | 0.21400 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1VRM CHAIN A AND CHAIN B |
RMSD bond length | 0.006 |
RMSD bond angle | 1.200 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | CNS (0.3) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 1.680 |
High resolution limit [Å] | 1.530 | 1.650 |
Rmerge | 0.105 | 0.221 |
Number of reflections | 19966 | |
<I/σ(I)> | 19.6 | 6.9 |
Completeness [%] | 79.3 | 59.4 |
Redundancy | 8.4 | 5.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 277 | 20% (W/V) PEG 8000, 100 MM SODIUM ACETATE 5 MM CALCIUM CHLORIDE 0.01% (W/V) SODIUM AZIDE PH = 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 277 | 20% (W/V) PEG 8000, 100 MM SODIUM ACETATE 5 MM CALCIUM CHLORIDE 0.01% (W/V) SODIUM AZIDE PH = 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 277 | 20% (W/V) PEG 8000, 100 MM SODIUM ACETATE 5 MM CALCIUM CHLORIDE 0.01% (W/V) SODIUM AZIDE PH = 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 277K |