8CRN
Streptavidin S112Y Co-TAML artificial metalloenzyme
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X6A |
Synchrotron site | NSLS |
Beamline | X6A |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2022-09-11 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.99988 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 192.510, 57.615, 57.615 |
Unit cell angles | 90.00, 107.42, 90.00 |
Refinement procedure
Resolution | 45.964 - 2.000 |
Rwork | 0.187 |
R-free | 0.20830 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.010 |
RMSD bond angle | 1.991 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0352) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 45.964 | 45.920 | 2.050 |
High resolution limit [Å] | 2.000 | 8.940 | 2.000 |
Rmerge | 0.095 | 0.044 | 0.856 |
Rmeas | 0.113 | 0.052 | 1.020 |
Rpim | 0.061 | 0.028 | 0.548 |
Number of reflections | 40299 | 492 | 3007 |
<I/σ(I)> | 10.7 | ||
Completeness [%] | 98.6 | ||
Redundancy | 6.4 | 6 | 6.5 |
CC(1/2) | 0.998 | 0.997 | 0.718 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 298 | 0.1 M sodium acetate pH 4.0 2 M ammonium sulfate soaking with pH change to pH 6.0 |