9NGL
cis-CaaD E114Q
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-D |
| Synchrotron site | APS |
| Beamline | 21-ID-D |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-07-29 |
| Detector | DECTRIS EIGER2 S 9M |
| Wavelength(s) | 1.13 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 59.977, 101.078, 144.071 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.530 - 1.800 |
| R-factor | 0.1755 |
| Rwork | 0.173 |
| R-free | 0.21530 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.996 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.830 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rpim | 0.026 | 0.204 |
| Number of reflections | 40869 | 2024 |
| <I/σ(I)> | 27.89 | |
| Completeness [%] | 99.5 | |
| Redundancy | 9.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 277 | (0.05 M citric acid, 0.05 M BIS-TRIS propane) pH 5 20% w/v PEG 3,354 |
