6PI1
Crystal structure of Marinobacter subterrani acetylpolyamine amidohydrolase (msAPAH) complexed with 4-(dimethylamino)-N-[7-hydroxyamino)-7-oxoheptyl]benzamide
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 24-ID-C |
Synchrotron site | APS |
Beamline | 24-ID-C |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-02-10 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.98 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 65.624, 163.013, 65.624 |
Unit cell angles | 90.00, 94.51, 90.00 |
Refinement procedure
Resolution | 60.710 - 1.700 |
R-factor | 0.1645 |
Rwork | 0.163 |
R-free | 0.19890 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | PDB: 4ZUM |
RMSD bond length | 0.006 |
RMSD bond angle | 0.856 |
Data reduction software | MOSFLM |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX ((1.11.1_2575: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 60.710 | 1.760 |
High resolution limit [Å] | 1.700 | 1.700 |
Rpim | 0.100 | 0.353 |
Number of reflections | 136205 | 13035 |
<I/σ(I)> | 6.8 | |
Completeness [%] | 90.8 | |
Redundancy | 3.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 277 | 10 mg/ml msAPAH Protein, 0.2 M calcium chloride dihydrate, 20 % w/v PEG 3350, 1:1 ratio protein to precipitant |