4QME
Crystal structure of Aminopeptidase N in complex with the phosphinic dipeptide analogue LL-(R,S)-hPheP[CH2]Phe
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-ID |
Synchrotron site | APS |
Beamline | 19-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-10-20 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9794 |
Spacegroup name | H 3 |
Unit cell lengths | 224.000, 224.000, 57.872 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 32.332 - 1.601 |
R-factor | 0.1451 |
Rwork | 0.144 |
R-free | 0.17210 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2gtq |
RMSD bond length | 0.010 |
RMSD bond angle | 1.296 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | MOLREP |
Refinement software | PHENIX ((phenix.refine: dev_1639)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.000 | 1.630 |
High resolution limit [Å] | 1.600 | 1.600 |
Rmerge | 0.061 | |
Number of reflections | 141851 | |
<I/σ(I)> | 16.8 | |
Completeness [%] | 99.7 | 99.6 |
Redundancy | 3.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 289 | 2.0 M ammonium sulfate, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 289K |