8AIN
MCUGI SAUNG complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID30B |
| Synchrotron site | ESRF |
| Beamline | ID30B |
| Temperature [K] | 289.15 |
| Detector technology | PIXEL |
| Collection date | 2020-07-08 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9198 |
| Spacegroup name | P 63 2 2 |
| Unit cell lengths | 91.522, 91.522, 158.620 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 45.800 - 2.700 |
| Rwork | 0.198 |
| R-free | 0.26050 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3wdg |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.586 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.800 | 2.830 |
| High resolution limit [Å] | 2.700 | 2.700 |
| Number of reflections | 11391 | 1470 |
| <I/σ(I)> | 2.12 | |
| Completeness [%] | 100.0 | |
| Redundancy | 11.9 | |
| CC(1/2) | 0.993 | 0.550 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 289.15 | 1 M ammonium sulphate, 0.2 M sodium chloride, 9.55%(w/v) PEG 20.000, 0.1 M MES, at pH 6.5 |
