6T6R
Human endoplasmic reticulum aminopeptidase 1 (ERAP1) in complex with (4aR,5S,6R,8S,8aR)-5-(2-(Furan-3-yl)ethyl)-8-hydroxy-5,6,8a-trimethyl-3,4,4a,5,6,7,8,8a-octahydronaphthalene-1-carboxylic acid
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID30B |
Synchrotron site | ESRF |
Beamline | ID30B |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-06-29 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97625 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 113.220, 140.260, 57.920 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 24.450 - 1.670 |
R-factor | 0.17 |
Rwork | 0.169 |
R-free | 0.19400 |
Structure solution method | FOURIER SYNTHESIS |
RMSD bond length | 0.010 |
RMSD bond angle | 0.970 |
Data reduction software | DIALS |
Data scaling software | Aimless |
Phasing software | BUSTER |
Refinement software | BUSTER (2.11.7) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 59.610 | 1.710 |
High resolution limit [Å] | 1.670 | 1.670 |
Rmerge | 0.094 | 1.042 |
Number of reflections | 107621 | 51056 |
<I/σ(I)> | 10.7 | 1.5 |
Completeness [%] | 100.0 | 100 |
Redundancy | 6.4 | 6.5 |
CC(1/2) | 0.997 | 0.474 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4 | 293 | PACT condition D1 (0.1M MMT, pH 4.0, 25% PEG 1500), MMT = DL-malic acid, MES monohydrate, Tris |