8CGP
Insulin regulated aminopeptidase (IRAP) in complex with an allosteric aryl sulfonamide 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) | 0.9763 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 73.443, 119.074, 141.643 |
Unit cell angles | 90.00, 102.77, 90.00 |
Refinement procedure
Resolution | 45.790 - 2.620 |
Rwork | 0.170 |
R-free | 0.23100 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.010 |
RMSD bond angle | 1.068 |
Data reduction software | XDS |
Data scaling software | STARANISO |
Phasing software | PHASER |
Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 45.790 | 2.720 |
High resolution limit [Å] | 2.600 | 2.620 |
Rmerge | 0.085 | |
Rmeas | 0.120 | |
Rpim | 0.085 | |
Number of reflections | 65118 | 3597 |
<I/σ(I)> | 7.95 | 1.6 |
Completeness [%] | 90.1 | 54.33 |
Redundancy | 1.9 | 1.9 |
CC(1/2) | 0.987 | 0.445 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5 | 278.15 | 0.1M MMT (Malic acid, MES, Tris) 25% w/v PEG 1500 20% EG |