8EGL
Crystal Structure of Guanylate kinase from Pseudomonas aeruginosa PAO1 in complex with GMP and ADP
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU FR-E+ SUPERBRIGHT |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2022-01-18 |
Detector | RIGAKU SATURN 944+ |
Wavelength(s) | 1.5418 |
Spacegroup name | P 1 |
Unit cell lengths | 72.280, 72.370, 144.730 |
Unit cell angles | 81.60, 88.00, 60.00 |
Refinement procedure
Resolution | 48.150 - 2.350 |
R-factor | 0.1968 |
Rwork | 0.196 |
R-free | 0.22870 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7u5f GMP-bound structure |
RMSD bond length | 0.005 |
RMSD bond angle | 0.725 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (1.20.1 4674) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.410 |
High resolution limit [Å] | 2.350 | 10.510 | 2.350 |
Rmerge | 0.058 | 0.016 | 0.607 |
Rmeas | 0.063 | 0.017 | 0.663 |
Number of reflections | 103118 | 1138 | 7434 |
<I/σ(I)> | 26.37 | 102.64 | 3.29 |
Completeness [%] | 98.6 | 98.4 | 94.9 |
Redundancy | 7.459 | 7.38 | 6.278 |
CC(1/2) | 1.000 | 1.000 | 0.824 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 287 | RigakuReagents. JCSG+ screen, condition G7: 100mM succinic acid pH 7.0, 15% PEG 3350; PsaeA.01463.a.AE1.PW38943 at 20mg/ml + 5mM ATP + 5mM GMP + 5mM MgCl2; tray 320335g7; cryo: 20%EG; puck xhd7-11 |