4QHP
Crystal structure of Aminopeptidase N in complex with the phosphinic dipeptide analogue LL-(R,S)-hPheP[CH2]Phe(4-CH2NH2)
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 | 2013-09-14 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9794 |
Spacegroup name | H 3 |
Unit cell lengths | 223.760, 223.760, 57.876 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 32.297 - 1.600 |
R-factor | 0.155 |
Rwork | 0.154 |
R-free | 0.17820 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2gtq |
RMSD bond length | 0.012 |
RMSD bond angle | 1.333 |
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] | 32.297 | 1.630 |
High resolution limit [Å] | 1.600 | 1.600 |
Rmerge | 0.048 | |
Number of reflections | 142174 | |
<I/σ(I)> | 16.32 | |
Completeness [%] | 99.8 | 99.6 |
Redundancy | 3.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 289 | 2 M ammonium sulfate, 0.1 M Bis-Tris, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 289K |