7S5E
Crystal structure of a guanylate kinase from Stenotrophomonas maltophilia K279a with heterogeneous ligand states of GMP/ADP, GMP/-, GDP/-, and GMP/ATPgS
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 | 2020-11-05 |
Detector | RAYONIX MX300-HS |
Wavelength(s) | 0.97872 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 97.160, 100.530, 92.250 |
Unit cell angles | 90.00, 95.21, 90.00 |
Refinement procedure
Resolution | 45.930 - 2.400 |
R-factor | 0.227 |
Rwork | 0.226 |
R-free | 0.26470 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6wct |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | PHENIX (dev-4274) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 45.930 | 45.930 | 2.460 |
High resolution limit [Å] | 2.400 | 10.730 | 2.400 |
Rmerge | 0.072 | 0.024 | 0.638 |
Rmeas | 0.083 | 0.028 | 0.740 |
Total number of observations | 258053 | ||
Number of reflections | 66984 | 792 | 4967 |
<I/σ(I)> | 9.62 | 21.97 | 2.23 |
Completeness [%] | 96.8 | 96.7 | 97.2 |
Redundancy | 3.852 | 3.527 | 3.894 |
CC(1/2) | 0.999 | 0.999 | 0.913 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.2 | 287 | StmaA.01463.a.B1.PW38755 at 33 mg/mL with 4 mM 5GP (GMP) and 4 mM ATPgS (AGS) against MCSG1 B1 focus screen condition B4: 0.1 M MES pH 6.2, 18% PEG 4000, 0.6 M NaCl, supplemented with 20% EG as cryo with 4 mM 5GP and 4 mM AGS, unique puck ID kjd4-1, 318570b4 |