4JBS
Crystal structure of the human Endoplasmic Reticulum Aminopeptidase 2 in complex with PHOSPHINIC PSEUDOTRIPEPTIDE inhibitor.
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 | 2012-03-25 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 1.0000 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 75.150, 134.770, 128.731 |
Unit cell angles | 90.00, 90.28, 90.00 |
Refinement procedure
Resolution | 10.994 - 2.789 |
R-factor | 0.21 |
Rwork | 0.206 |
R-free | 0.27780 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4e36 |
RMSD bond length | 0.008 |
RMSD bond angle | 0.872 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | PHENIX ((phenix.refine)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 49.000 | 2.940 |
High resolution limit [Å] | 2.789 | 2.790 |
Rmerge | 0.065 | 0.280 |
Number of reflections | 119216 | |
Completeness [%] | 94.8 | 99.9 |
Redundancy | 3.2 | 3.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 289 | 10% PEG 8000, 20% ethylene glycol, 69 mM MES, 31 mM imidazole.Drops incubated at 277 K before being transferred to 289 K, pH 6.5, VAPOR DIFFUSION, SITTING DROP |