6PHT
Crystal structure of Marinobacter subterrani acetylpolyamine amidohydrolase (msAPAH) complexed with 5-[(3-aminopropyl)amino]pentylboronic acid
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 24-ID-E |
| Synchrotron site | APS |
| Beamline | 24-ID-E |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-03-14 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.98 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 65.630, 163.480, 65.720 |
| Unit cell angles | 90.00, 94.33, 90.00 |
Refinement procedure
| Resolution | 65.440 - 1.800 |
| R-factor | 0.1952 |
| Rwork | 0.194 |
| R-free | 0.22570 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDB: 4ZUM |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.891 |
| 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] | 65.440 | 1.680 |
| High resolution limit [Å] | 1.650 | 1.650 |
| Rpim | 0.102 | 0.312 |
| Number of reflections | 125734 | 12518 |
| <I/σ(I)> | 4.7 | |
| Completeness [%] | 99.7 | |
| Redundancy | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277 | 10 mg/ml msAPAH protein, 0.2 M magnesium chloride hexahydrate, 0.1 M HEPES (pH 7.5), 25% w/v PEG 3350, 1:1 ratio protein to precipitant |
