6PHZ
Crystal structure of Marinobacter subterrani acetylpolyamine amidohydrolase (msAPAH) complexed with 7-[(3-aminopropyl)amino]-1,1,1-trifluoroheptan-2-one
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 | 47.370, 82.360, 90.720 |
| Unit cell angles | 90.00, 98.22, 90.00 |
Refinement procedure
| Resolution | 60.694 - 2.000 |
| R-factor | 0.1637 |
| Rwork | 0.161 |
| R-free | 0.21210 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDB: 4ZUM |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.866 |
| 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] | 89.790 | 2.050 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rpim | 0.180 | 0.595 |
| Number of reflections | 41498 | 4163 |
| <I/σ(I)> | 10.2 | |
| Completeness [%] | 91.4 | |
| Redundancy | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277 | 10 mg/ml msAPAH protein, 0.2 M magnesium acetate tetrahydrate, 20% w/v PEG 3350, 1:1 ratio protein to precipitant |
