7SAP
The CTI-homolog pacifastin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2016-11-11 |
| Detector | RIGAKU SATURN 944+ |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 19.774, 50.502, 25.327 |
| Unit cell angles | 90.00, 104.55, 90.00 |
Refinement procedure
| Resolution | 25.250 - 1.790 |
| R-factor | 0.1309 |
| Rwork | 0.128 |
| R-free | 0.18750 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7sao |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.631 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.250 | 1.850 |
| High resolution limit [Å] | 1.790 | 1.790 |
| Rmerge | 0.034 | 0.185 |
| Rmeas | 0.044 | 0.186 |
| Number of reflections | 3164 | 38 |
| <I/σ(I)> | 35.66 | 3.12 |
| Completeness [%] | 69.0 | |
| Redundancy | 3.4 | |
| CC(1/2) | 1.000 | 1.000 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 298 | Crystals grew after ~6 months from sparse matrix screen JCSG+ Suite C10 (0.1 M MES pH 6.5, 25 % (w/v) PEG 8000) |
