7ZYF
Insulin regulated aminopeptidase (IRAP) in complex with a nanomolar alpha hydroxy beta amino acid based 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 | 73.478, 120.051, 141.246 |
Unit cell angles | 90.00, 103.28, 90.00 |
Refinement procedure
Resolution | 137.470 - 2.810 |
R-factor | 0.2734 |
Rwork | 0.271 |
R-free | 0.31430 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5mj6 |
RMSD bond length | 0.005 |
RMSD bond angle | 0.899 |
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] | 137.500 | 2.910 |
High resolution limit [Å] | 2.810 | 2.810 |
Rmerge | 0.102 | |
Number of reflections | 58003 | 5657 |
<I/σ(I)> | 6.56 | 2.62 |
Completeness [%] | 99.6 | 97.92 |
Redundancy | 2 | |
CC(1/2) | 0.951 | 0.500 |
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 |