1EE3
Cadmium-substituted bovine pancreatic carboxypeptidase A (alfa-form) at pH 7.5 and 2 mM chloride in monoclinic crystal form
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU200 |
Temperature [K] | 291 |
Detector technology | IMAGE PLATE |
Collection date | 1997-10-15 |
Detector | RIGAKU RAXIS IIC |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 47.178, 60.205, 51.715 |
Unit cell angles | 90.00, 97.46, 90.00 |
Refinement procedure
Resolution | 40.000 - 1.700 |
R-factor | 0.174 |
Rwork | 0.174 |
R-free | 0.19780 * |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5CPA.PDB |
RMSD bond length | 0.005 * |
RMSD bond angle | 1.280 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.000 | 1.720 |
High resolution limit [Å] | 1.700 | 1.690 |
Rmerge | 0.057 | 0.244 |
Total number of observations | 348864 * | |
Number of reflections | 31210 | |
<I/σ(I)> | 29 | 5.4 |
Completeness [%] | 98.4 | 84.9 |
Redundancy | 11.4 | 3.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | MICRODIALYSIS | 7.5 | 293 | Lithium Chloride, Tris-HNO3, Cadmium Chloride, pH 7.5, MICRODIALYSIS, temperature 293K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | 1 | 1.0 (M) | ||
2 | 1 | 1 | Tris-HNO3 | 20 (mM) | pH7.5 |
3 | 1 | 1 | protein | 20 (mg/ml) | |
4 | 1 | 2 | 0.35 (M) | ||
5 | 1 | 2 | Tris-HNO3 | 20 (mM) | pH7.5 |