8PNE
E.coli YihX Wild Type Apo
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2022-07-31 |
Detector | DECTRIS EIGER2 XE 16M |
Wavelength(s) | 0.9762 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 67.216, 79.567, 148.188 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 70.200 - 1.900 |
Rwork | 0.204 |
R-free | 0.23390 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.009 |
RMSD bond angle | 1.491 |
Data reduction software | xia2 |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0415) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 70.200 | 1.940 |
High resolution limit [Å] | 1.900 | 1.900 |
Number of reflections | 31737 | 2009 |
<I/σ(I)> | 12.9 | |
Completeness [%] | 100.0 | |
Redundancy | 13.6 | |
CC(1/2) | 0.998 | 0.837 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 277 | 20-60 mg/mL YihX protein in the buffer of Tris-HCl 25 mM pH 7.5, NaCl 150 mM, MgCl2 20 mM, NaF 30 mM, was mixed 1:1 ratio with the precipitant containing MES 55.5 mM, imidazole 44.5 mM pH 6.5, 30 mM MgCl2, 30 mM CaCl2, 20% glycerol, 10% PEG4000, 20% PEG500 |