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 |