8AJT
Crystal structure of the H323A mutant of S-adenosyl-L-homocysteine hydrolase from Pseudomonas aeruginosa cocrystallized with adenosine in the presence of K+ cations
This is a non-PDB format compatible entry.
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 | 2021-06-21 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.97625 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 176.710, 134.561, 108.091 |
Unit cell angles | 90.00, 105.71, 90.00 |
Refinement procedure
Resolution | 42.559 - 1.499 |
Rwork | 0.152 |
R-free | 0.16700 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6f3m |
RMSD bond length | 0.011 |
RMSD bond angle | 1.485 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 42.559 | 1.550 |
High resolution limit [Å] | 1.460 | 1.460 |
Number of reflections | 826623 | 128876 |
<I/σ(I)> | 8.88 | 0.53 |
Completeness [%] | 98.9 | |
Redundancy | 3.372 | |
CC(1/2) | 0.999 | 0.316 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | Morpheus Crystallization Screen, Condition C12 |