4QPE
Crystal structure of Aminopeptidase N in complex with N-cyclohexyl-1,2-diaminoethylphosphonic acid
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 | 2013-09-10 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9794 |
Spacegroup name | H 3 |
Unit cell lengths | 224.495, 224.495, 57.951 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 28.062 - 2.004 |
R-factor | 0.1724 |
Rwork | 0.171 |
R-free | 0.20170 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2gtq |
RMSD bond length | 0.003 |
RMSD bond angle | 0.698 |
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] | 28.062 | 2.030 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.100 | |
Number of reflections | 71931 | |
<I/σ(I)> | 11.3 | |
Completeness [%] | 98.3 | 94 |
Redundancy | 3.6 |
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 |