6RXH
In-flow serial synchrotron crystallography using a 3D-printed microfluidic device (3D-MiXD): Aspartate alpha-decarboxylase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE MASSIF-3 |
| Synchrotron site | ESRF |
| Beamline | MASSIF-3 |
| Temperature [K] | 293 |
| Detector technology | PIXEL |
| Collection date | 2018-02-13 |
| Detector | DECTRIS EIGER X 4M |
| Wavelength(s) | 0.9686 |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 72.800, 72.800, 219.000 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 63.050 - 2.000 |
| R-factor | 0.15357 |
| Rwork | 0.152 |
| R-free | 0.18432 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1aw8 |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.777 |
| Data reduction software | CrystFEL (0.8.0) |
| Data scaling software | CrystFEL (0.8.0) |
| Phasing software | MOLREP (11.7.01) |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 63.050 | 2.080 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Number of reflections | 24287 | 2374 |
| <I/σ(I)> | 19.3 | |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 6006 | 4356 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | BATCH MODE | 3.8 | 293 | 1:3 protein:mother liquor mixture. 25 mg/mL of ADC in 50 mM Tris-HCl pH 7.5, 100 mM NaCl, 0.1 mM DTT. Mother liquor: 1.95 M (NH4)2SO4, 100 mM citrate/di-sodium phosphate buffer pH 3.8 |
