9B7F
S_SAD structure of HEWL using lossless default compression
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS-II BEAMLINE 17-ID-1 |
Synchrotron site | NSLS-II |
Beamline | 17-ID-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2023-11-15 |
Detector | DECTRIS EIGER X 9M |
Wavelength(s) | 1.65 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 78.895, 78.895, 36.955 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.730 - 1.650 |
R-factor | 0.1611 |
Rwork | 0.159 |
R-free | 0.19750 |
Structure solution method | SAD |
RMSD bond length | 0.023 |
RMSD bond angle | 1.656 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | SHELXDE |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 19.730 | 1.670 |
High resolution limit [Å] | 1.640 | 1.640 |
Rmerge | 0.041 | 0.078 |
Rmeas | 0.042 | 0.078 |
Rpim | 0.009 | 0.060 |
Number of reflections | 13089 | 268 |
<I/σ(I)> | 60.9 | 8.5 |
Completeness [%] | 88.9 | |
Redundancy | 20.2 | |
CC(1/2) | 0.999 | 0.988 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 298 | 1000 mM NaCl 100 mM NaAcetate pH 4.6 50 mM Glycerol 50 mM Ethylen Glycol Drop= 1 uL + 1uL |