5K1V
Crystal structure of Endoplasmic Reticulum aminopeptidase 2 (ERAP2) in complex with a diaminobenzoic acid derivative ligand.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06DA |
Synchrotron site | SLS |
Beamline | X06DA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2013-08-30 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 1.0 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 74.403, 135.171, 127.489 |
Unit cell angles | 90.00, 90.15, 90.00 |
Refinement procedure
Resolution | 48.345 - 2.897 |
R-factor | 0.2085 |
Rwork | 0.205 |
R-free | 0.27300 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5ab0 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.379 |
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] | 48.470 | 3.050 |
High resolution limit [Å] | 2.897 | 2.900 |
Rmerge | 0.062 | 0.670 |
Number of reflections | 108521 | |
<I/σ(I)> | 17.8 | 2.3 |
Completeness [%] | 99.7 | 98.2 |
Redundancy | 5.1 | 4.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 6.2 | 277 | 9 %(w/v) PEG 8000, 20 %(v/v) ethylene glycol, 69 mM 2-(N-morpholino)ethanesulfonic acid (MES), 31 mM imidazole |