7ZD9
Crystal structure of the E352T mutant of S-adenosyl-L-homocysteine hydrolase from Synechocystis sp. PCC 6803 cocrystallized with adenosine in the presence of Rb+ cations
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1) |
Synchrotron site | PETRA III, EMBL c/o DESY |
Beamline | P13 (MX1) |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2022-03-12 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.8146 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 121.117, 196.155, 81.638 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.030 - 1.890 |
R-factor | 0.1693 |
Rwork | 0.169 |
R-free | 0.20260 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7o5l |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | REFMAC |
Refinement software | PHENIX (1.19.2-4158) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 81.638 | 81.638 | 2.000 |
High resolution limit [Å] | 1.890 | 5.640 | 1.890 |
Rmerge | 0.216 | 0.053 | 1.850 |
Rmeas | 0.234 | 0.057 | 2.003 |
Total number of observations | 1030038 | ||
Number of reflections | 150834 | 5661 | 24183 |
<I/σ(I)> | 9.27 | 31.2 | 1.33 |
Completeness [%] | 99.8 | 99.9 | 98.8 |
Redundancy | 6.829 | 6.77 | 6.752 |
CC(1/2) | 0.996 | 0.999 | 0.511 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 7 | 291 | 0.2 M Sodium formate pH 7.0, 20% w/v PEG 3350 |