7STC
AQP5 T41H with Ni2+
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 | 2019-04-20 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.98 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 89.681, 90.649, 184.767 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 34.220 - 2.250 |
| R-factor | 0.2874 |
| Rwork | 0.286 |
| R-free | 0.31050 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3d9s |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.880 |
| Data reduction software | DIALS |
| Data scaling software | DIALS |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.10.4) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 34.220 | 2.300 |
| High resolution limit [Å] | 2.250 | 2.250 |
| Rpim | 0.166 | 2.793 |
| Number of reflections | 71938 | 4395 |
| <I/σ(I)> | 3.6 | |
| Completeness [%] | 99.0 | 100 |
| Redundancy | 6.5 | 6.6 |
| CC(1/2) | 0.990 | 0.088 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.6 | 281 | 0.1 M Tris-HCl, pH 7.6, 0.1 M NaCl, 18% PEG400. 6% 1,6 hexanediol (v/v), 3% 1,3 propanediol (v/v) |
