3FX6
X-RAY crystallographic studies on the complex of carboxypeptidase A with the inhibitor using alpha-nitro ketone as the 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 | 2008-11-27 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.5418 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 73.356, 59.752, 99.514 |
Unit cell angles | 90.00, 104.04, 90.00 |
Refinement procedure
Resolution | 36.370 - 1.851 |
R-factor | 0.207 |
Rwork | 0.207 |
R-free | 0.23900 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1hdq |
RMSD bond length | 0.005 |
RMSD bond angle | 1.350 |
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] | 36.370 | 1.920 |
High resolution limit [Å] | 1.850 | 1.850 |
Rmerge | 0.047 | 0.081 |
Number of reflections | 67762 | |
<I/σ(I)> | 49.1156 | 30.398 |
Completeness [%] | 89.6 | 87.7 |
Redundancy | 3.5 | 3.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | MICRODIALYSIS | 7.5 | 277 | 0.15M lithium chloride, 0.02% glutaraldehyde, 0.025M Tris, pH7.5, MICRODIALYSIS, temperature 277K |