7XEN
SufS with L-penicillamine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL44XU |
Synchrotron site | SPring-8 |
Beamline | BL44XU |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-07-20 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.900 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 94.200, 94.200, 133.200 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 47.100 - 2.470 |
R-factor | 0.1639 |
Rwork | 0.161 |
R-free | 0.21120 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5zs9 |
RMSD bond length | 0.012 |
RMSD bond angle | 2.309 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 47.100 | 47.100 | 2.570 |
High resolution limit [Å] | 2.470 | 10.000 | 2.470 |
Rmerge | 0.055 | 0.033 | 0.729 |
Rmeas | 0.059 | 0.035 | 0.782 |
Total number of observations | 180175 | ||
Number of reflections | 24689 | 408 | 2771 |
<I/σ(I)> | 16.33 | 35.69 | 2.12 |
Completeness [%] | 98.3 | 92.3 | 99.5 |
Redundancy | 7.298 | 7.108 | 7.716 |
CC(1/2) | 0.999 | 0.999 | 0.782 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | 0.1 M Tris-HCl, 50 mM Lithium sulfate, 50% (v/v) PEG200 |