7SAO
The CTI-homolog pacifastin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2016-10-07 |
| Detector | RIGAKU SATURN 944+ |
| Wavelength(s) | 1.54 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 33.162, 78.077, 27.736 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 39.040 - 1.770 |
| R-factor | 0.1767 |
| Rwork | 0.175 |
| R-free | 0.20430 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1gl1 |
| RMSD bond length | 0.023 |
| RMSD bond angle | 2.381 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0123) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 39.040 | 1.840 |
| High resolution limit [Å] | 1.770 | 1.770 |
| Rmerge | 0.149 | |
| Rmeas | 0.054 | |
| Number of reflections | 3176 | 76 |
| <I/σ(I)> | 30.48 | |
| Completeness [%] | 85.0 | 85 |
| Redundancy | 6.3 | 1.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | JCSG+ Suite G15 (5 mM CoCl2, 5 mM CdCl2, 5 mM NiCl2, 0.1 M HEPES pH 7.5, 12% PEG 3350) |
