6MFU
Crystal structure of a Guanylate kinase from Cryptococcus neoformans var. grubii serotype A in complex with GDP and ADP
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.1 |
Synchrotron site | ALS |
Beamline | 5.0.1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-09-01 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97741 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 58.670, 99.150, 90.050 |
Unit cell angles | 90.00, 91.23, 90.00 |
Refinement procedure
Resolution | 49.575 - 1.600 |
R-factor | 0.1498 |
Rwork | 0.149 |
R-free | 0.17550 |
Structure solution method | SAD |
RMSD bond length | 0.007 |
RMSD bond angle | 0.978 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (1.14_3247) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 49.575 | 49.575 | 1.640 |
High resolution limit [Å] | 1.600 | 7.160 | 1.600 |
Rmerge | 0.021 | 0.011 | 0.201 |
Rmeas | 0.025 | 0.013 | 0.247 |
Number of reflections | 131080 | 1551 | 8917 |
<I/σ(I)> | 30.65 | 79.76 | 4.4 |
Completeness [%] | 96.7 | 97.9 | 89.6 |
Redundancy | 3.253 | 3.228 | 2.597 |
CC(1/2) | 1.000 | 1.000 | 0.948 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.6 | 285 | Microlytic MCSG1 screen, C4: 25.5% PEG 3350, 170mM Ammonium Acetate, 15% glycerol, 100mM Ammonium acetate/HCl pH 4.6: CrneC.00217.a.B1.PW38472 at 15.5mg/ml + 4mM ADP + 4mM GDP + 4mM MgCl2: cryo: direct: tray 301682c4, puck xcr5-9: for phasing a crystal from the same drop was incubated for 20sec each in reservoir + compounds + 5% 5M NaI in EG and 10% 5M NaI in EG, and directly vitrified, puck: TDC2-4 |
1 | VAPOR DIFFUSION, SITTING DROP | 4.6 | 285 | Microlytic MCSG1 screen, C4: 25.5% PEG 3350, 170mM Ammonium Acetate, 15% glycerol, 100mM Ammonium acetate/HCl pH 4.6: CrneC.00217.a.B1.PW38472 at 15.5mg/ml + 4mM ADP + 4mM GDP + 4mM MgCl2: cryo: direct: tray 301682c4, puck xcr5-9: for phasing a crystal from the same drop was incubated for 20sec each in reservoir + compounds + 5% 5M NaI in EG and 10% 5M NaI in EG, and directly vitrified, puck: TDC2-4 |