6HSM
Structure of partially reduced RsrR in space group P2(1)2(1)2(1)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-12-13 |
| Detector | DECTRIS PILATUS3 X 2M |
| Wavelength(s) | 0.97242 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 66.650, 129.840, 170.300 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.660 - 2.000 |
| R-factor | 0.1967 |
| Rwork | 0.195 |
| R-free | 0.23040 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6hsd |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.724 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.5.32) |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0232) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 48.660 | 48.660 | 2.070 |
| High resolution limit [Å] | 2.000 | 7.750 | 2.000 |
| Rmerge | 0.104 | 0.027 | 1.909 |
| Rmeas | 0.112 | 0.029 | 2.066 |
| Rpim | 0.041 | 0.011 | 0.782 |
| Total number of observations | 717831 | ||
| Number of reflections | 100292 | 1899 | 9702 |
| <I/σ(I)> | 13.6 | ||
| Completeness [%] | 99.8 | 99.2 | 99.6 |
| Redundancy | 7.2 | 6.5 | 6.9 |
| CC(1/2) | 0.999 | 0.999 | 0.459 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 6 | 298 | NaCl, MPD, MES, dithionite, anaerobic |
