7TLP
Structure of Atopobium parvulum SufS K235R
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 | C 1 2 1 |
| Unit cell lengths | 91.744, 159.262, 178.069 |
| Unit cell angles | 90.00, 90.16, 90.00 |
Refinement procedure
| Resolution | 38.860 - 2.990 |
| R-factor | 0.2399 |
| Rwork | 0.237 |
| R-free | 0.30880 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5j8q |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.335 |
| 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] | 38.880 | 38.880 | 3.100 |
| High resolution limit [Å] | 2.990 | 6.440 | 2.990 |
| Rmerge | 0.073 | 0.044 | 0.226 |
| Rmeas | 0.084 | 0.051 | 0.258 |
| Total number of observations | 232254 | 23070 | 21381 |
| Number of reflections | 49721 | 4969 | 4783 |
| <I/σ(I)> | 12.3 | 22.8 | 5.1 |
| Completeness [%] | 96.4 | 94.8 | 93.3 |
| Redundancy | 4.11 | 3.73 | 4.09 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.1 | 294 | 10% PEG8000, 12% ethylene glycol, 50 mM HEPES |
