9AYO
Mycolicibacterium smegmatis ClpS with bound PheAla and Ni2+
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2016-11-18 |
| Detector | RIGAKU SATURN 944 |
| Wavelength(s) | 1.54178 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 51.040, 52.510, 54.098 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 24.050 - 1.750 |
| R-factor | 0.1633 |
| Rwork | 0.162 |
| R-free | 0.18890 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.386 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 24.100 | 1.780 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Rmerge | 0.037 | 0.197 |
| Rmeas | 0.044 | 0.259 |
| Rpim | 0.022 | 0.165 |
| Number of reflections | 13620 | 304 |
| <I/σ(I)> | 25 | |
| Completeness [%] | 89.2 | 42 |
| Redundancy | 3.3 | 1.3 |
| CC(1/2) | 0.999 | 0.929 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 0.1 M HEPES pH 7.5, 12% PEG3350, 5 mM NiCl2 cryoprotected in 0.1 M HEPES pH 7.5, 40% PEG3350, 5 mM NiCl2 |
