8P0I
Crystal structure of the open conformation of insulin-regulated aminopeptidase in complex with a small-MW inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1) |
Synchrotron site | PETRA III, EMBL c/o DESY |
Beamline | P13 (MX1) |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-08-11 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.976260 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 68.229, 255.121, 73.274 |
Unit cell angles | 90.00, 110.00, 90.00 |
Refinement procedure
Resolution | 64.110 - 3.500 |
Rwork | 0.240 |
R-free | 0.27670 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 1.092 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 64.110 | 3.500 |
High resolution limit [Å] | 3.500 | 3.500 |
Rmerge | 0.076 | 0.823 |
Rmeas | 0.107 | 1.164 |
Rpim | 0.076 | 0.823 |
Number of reflections | 29554 | 2970 |
<I/σ(I)> | 7.85 | 1.09 |
Completeness [%] | 99.7 | 99.97 |
Redundancy | 2 | 2 |
CC(1/2) | 0.997 | 0.426 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 9 | 289 | 0.1M SPG buffer (Succinic acid, Phosphate, Glycine), pH 9.0 and 25% (w/v) polyethylene glycol (PEG) |