3FVL
Crystallogic studies on the Complex of Carboxypeptidase A with inhibitors using alpha-hydroxy ketone as zinc-binding group
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2008-11-26 |
Detector | RIGAKU RAXIS IV |
Wavelength(s) | 1.5418 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 73.347, 59.786, 99.360 |
Unit cell angles | 90.00, 103.94, 90.00 |
Refinement procedure
Resolution | 50.000 - 1.850 |
R-factor | 0.209 |
Rwork | 0.209 |
R-free | 0.23800 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1hdq |
RMSD bond length | 0.006 |
RMSD bond angle | 1.326 |
Data reduction software | HKL-2000 |
Data scaling software | SCALA |
Phasing software | CNS |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.920 |
High resolution limit [Å] | 1.850 | 1.850 |
Rmerge | 0.046 | 0.093 |
Number of reflections | 67780 | |
<I/σ(I)> | 51.86 | 29.42 |
Completeness [%] | 95.3 | 90.1 |
Redundancy | 3.9 | 3.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | MICRODIALYSIS | 7.5 | 277 | 0.02% glutaraldehyde, 0.15M lithium chloride, pH 7.5, temperature 277K, MICRODIALYSIS |