4WS9
Crystal structure of sMAT N159G from Sulfolobus solfataricus
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 | 2014-06-16 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.97872 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 74.716, 289.202, 174.686 |
| Unit cell angles | 90.00, 99.85, 90.00 |
Refinement procedure
| Resolution | 30.000 - 2.803 |
| R-factor | 0.2213 |
| Rwork | 0.221 |
| R-free | 0.25580 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4k0b |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.615 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHENIX (1.9) |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 30.000 | 30.000 | 2.850 |
| High resolution limit [Å] | 2.800 | 7.560 | 2.800 |
| Rmerge | 0.144 | 0.045 | 0.879 |
| Rmeas | 0.160 | 0.052 | |
| Rpim | 0.079 | 0.025 | 0.476 |
| Total number of observations | 527284 | ||
| Number of reflections | 134821 | ||
| <I/σ(I)> | 4.4 | ||
| Completeness [%] | 75.9 | 99.7 | 56.3 |
| Redundancy | 3.9 | 4.2 | 3.9 |
| CC(1/2) | 0.990 | 0.606 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | 1.1M-1.6M LiSO4, 0.1M TRIS pH 8.5 |
