8BL9
Crystal Structure of Sam0.7
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X10SA |
Synchrotron site | SLS |
Beamline | X10SA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-09-25 |
Detector | DECTRIS EIGER2 X 16M |
Wavelength(s) | 1.000 |
Spacegroup name | P 65 2 2 |
Unit cell lengths | 40.554, 40.554, 253.117 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 35.120 - 1.800 |
Rwork | 0.257 |
R-free | 0.29610 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | computational model |
RMSD bond length | 0.023 |
RMSD bond angle | 1.959 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0266) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 35.120 | 1.910 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.103 | 1.623 |
Number of reflections | 12505 | 1934 |
<I/σ(I)> | 19 | 1.65 |
Completeness [%] | 100.0 | 99.9 |
Redundancy | 32.77 | 34.94 |
CC(1/2) | 0.999 | 0.965 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 294 | 20% w/v PEG3350, 200 mM KSCN |