8SJ4
8F3-1H9-Ara h 6
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-F |
| Synchrotron site | APS |
| Beamline | 21-ID-F |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2020-11-03 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.97872 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 39.382, 85.450, 165.831 |
| Unit cell angles | 90.00, 96.17, 90.00 |
Refinement procedure
| Resolution | 54.960 - 2.670 |
| R-factor | 0.1923 |
| Rwork | 0.190 |
| R-free | 0.23160 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.651 |
| Data reduction software | XDS (VERSION Jan 31, 2020 BUILT=20200417) |
| Data scaling software | Aimless (2.3.28) |
| Phasing software | PHASER (1.20.1_4487) |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 55.000 | 2.770 |
| High resolution limit [Å] | 2.670 | 2.670 |
| Rmerge | 0.116 | 0.643 |
| Number of reflections | 30930 | 2898 |
| <I/σ(I)> | 12.95 | 2.36 |
| Completeness [%] | 99.3 | 93.6 |
| Redundancy | 5.5 | 4 |
| CC(1/2) | 0.992 | 0.660 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 240 mM Sodium Malonate, pH 7.0, 20% PEG 3350 |
