6I6Z
Crystal structure of the human CARBOXYPEPTIDASE A1 in complex with the PHOSPHINIC INHIBITOR Acetyl-Tyr-Ala-Y(PO2CH2)-homoPhe-OH
Replaces: 4UEFExperimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALBA BEAMLINE XALOC |
Synchrotron site | ALBA |
Beamline | XALOC |
Temperature [K] | 173 |
Detector technology | PIXEL |
Collection date | 2013-06-09 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.9794 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 46.121, 84.109, 158.195 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.440 - 1.720 |
R-factor | 0.1595 |
Rwork | 0.158 |
R-free | 0.18330 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3kgq |
RMSD bond length | 0.007 |
RMSD bond angle | 1.145 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | PHENIX (1.8.4_1496) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.451 | 1.745 |
High resolution limit [Å] | 1.720 | 1.720 |
Rmerge | 0.099 | 0.429 |
Number of reflections | 66309 | |
<I/σ(I)> | 1.33 | |
Completeness [%] | 99.9 | |
Redundancy | 7.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 283 | 1:1 (v:v) of hCPA1/8 complex at 16.1 mg/mL and a reservoir solution of 20% w/v PEG3350, 0.2 M MgCl 2 , 0.1 M HEPES, pH 6.0. |