8Q57
Crystal structure of class II SFP aldolase from Yersinia aldovae (YaSqiA-Zn-SO4) with bound sulfate ions
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04 |
Synchrotron site | Diamond |
Beamline | I04 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-01-22 |
Detector | DECTRIS PILATUS3 2M |
Wavelength(s) | 0.9795 |
Spacegroup name | I 1 2 1 |
Unit cell lengths | 90.734, 87.525, 104.312 |
Unit cell angles | 90.00, 107.73, 90.00 |
Refinement procedure
Resolution | 61.010 - 1.700 |
R-factor | 0.18579 |
Rwork | 0.185 |
R-free | 0.20522 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.010 |
RMSD bond angle | 1.511 |
Data reduction software | xia2 |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0419) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 61.500 | 1.730 |
High resolution limit [Å] | 1.700 | 1.700 |
Rmerge | 0.073 | 1.181 |
Rmeas | 0.079 | 1.276 |
Rpim | 0.030 | 0.481 |
Total number of observations | 602617 | 31344 |
Number of reflections | 85319 | 4531 |
<I/σ(I)> | 12.9 | 1.5 |
Completeness [%] | 100.0 | |
Redundancy | 7.1 | 6.9 |
CC(1/2) | 0.999 | 0.752 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 293 | Protein at 16 mg mL-1 in 50 mM NaPi, 300 mM NaCl buffer pH 7.4, using a drop containing 0.6 uL protein and 0.5 uL mother liquor, the latter comprising 1.5 M ammonium sulfate, 0.1 M NaCl, 0.1 M BIS-TRIS pH 6.5 |