7U5F
Crystal structure of guanylate kinase from Pseudomonas aeruginosa PAO1 in complex with GMP
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-F |
Synchrotron site | APS |
Beamline | 21-ID-F |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2022-02-03 |
Detector | RAYONIX MX-300 |
Wavelength(s) | 0.97872 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 46.500, 122.900, 149.010 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.410 - 2.000 |
R-factor | 0.1871 |
Rwork | 0.186 |
R-free | 0.22730 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2AN9 as per Morda |
RMSD bond length | 0.007 |
RMSD bond angle | 0.810 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MoRDa |
Refinement software | PHENIX (1.20.1) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.050 |
High resolution limit [Å] | 2.000 | 8.940 | 2.000 |
Rmerge | 0.053 | 0.022 | 0.672 |
Rmeas | 0.058 | 0.024 | 0.736 |
Number of reflections | 58685 | 740 | 4267 |
<I/σ(I)> | 20.85 | 57.02 | 2.98 |
Completeness [%] | 99.9 | 96.9 | 100 |
Redundancy | 6.1 | 5.12 | 6.151 |
CC(1/2) | 0.999 | 0.999 | 0.893 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 287 | Molecular Dimensions/Calibre Morpheus screen A4 (12.5% v/v PEG1000, 12.5% w/v PEG3350, 12.5% v/v MPD, 30 mM magnesium chloride, 30 mM calcium chloride, 100 mM MES/imidazole, pH 6.5) + 20 mg/mL PsaeA.01463.a.AE1.PW38943, tray 320331 a4, direct cryoprotection, puck avk9-3, 2022-02-03_aps21idf |