7ZD2
Crystal structure of Pseudomonas aeruginosa S-adenosyl-L-homocysteine hydrolase inhibited by Co2+ ions.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU PhotonJet-R |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-02-01 |
Detector | RIGAKU HyPix-6000HE |
Wavelength(s) | 1.5418 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 177.150, 134.210, 109.610 |
Unit cell angles | 90.00, 106.08, 90.00 |
Refinement procedure
Resolution | 29.320 - 2.160 |
R-factor | 0.1803 |
Rwork | 0.180 |
R-free | 0.22650 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6f3m |
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] | 29.320 | 29.320 | 2.210 |
High resolution limit [Å] | 2.160 | 9.640 | 2.160 |
Rmerge | 0.134 | 0.037 | 0.801 |
Rmeas | 0.162 | 0.046 | 0.965 |
Total number of observations | 406543 | ||
Number of reflections | 130661 | 1282 | 9410 |
<I/σ(I)> | 6.59 | 20.66 | 1.41 |
Completeness [%] | 98.5 | 82.5 | 96.6 |
Redundancy | 3.111 | 2.478 | 3.116 |
CC(1/2) | 0.993 | 0.996 | 0.604 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 291 | 0.02 M 1,6-hexanediol, 0.02 M 1-butanol, 0.02 M (RS)-1,2-propanediol, 0.02 M 2-propanol, 0.02 M 1,4-butanediol, 0.02 M 1,3-propanediol, 10% w/v PEG 20 000, 20% v/v PEG MME 550, 0.1 M bicine/Trizma base pH 8.5 |