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