7TLM
Structure of Atopobium parvulum SufS
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2019-05-05 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 92.011, 92.011, 178.242 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 29.710 - 1.800 |
| R-factor | 0.1961 |
| Rwork | 0.195 |
| R-free | 0.22520 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5j8q |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.905 |
| Data reduction software | d*TREK |
| Data scaling software | d*TREK (9.9.9.11W9R) |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 29.710 | 29.710 | 1.860 |
| High resolution limit [Å] | 1.800 | 3.880 | 1.800 |
| Rmerge | 0.061 | 0.046 | 0.291 |
| Rmeas | 0.062 | 0.047 | 0.313 |
| Total number of observations | 740239 | 87716 | 27038 |
| Number of reflections | 41844 | 4534 | 3898 |
| <I/σ(I)> | 23.9 | 50.1 | 5.1 |
| Completeness [%] | 99.4 | 100 | 94.6 |
| Redundancy | 17.56 | 19.19 | 6.93 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 294 | 10% glycerol, 20% PEG300, 10% PEG8000 |
