6XK2

Crystal structure of Ribokinase from Cryptococcus neoformans var. grubii serotype A in complex with ADP

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	2018-04-12
Detector	RAYONIX MX-300
Wavelength(s)	0.97872
Spacegroup name	P 1 21 1
Unit cell lengths	77.170, 84.570, 98.270
Unit cell angles	90.00, 95.27, 90.00

Refinement procedure

Resolution	37.050 - 2.500
R-factor	0.1833
Rwork	0.181
R-free	0.23040
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	apo structure 6cw5
RMSD bond length	0.006
RMSD bond angle	0.827
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.18.2)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	37.050	37.050	2.560
High resolution limit [Å]	2.500	11.180	2.500
Rmerge	0.046	0.016	0.575
Rmeas	0.055	0.020	0.682
Total number of observations	148087
Number of reflections	43388	486	3212
<I/σ(I)>	17.97	50.88	2.09
Completeness [%]	99.1	91.5	99.9
Redundancy	3.413	3.206	3.427
CC(1/2)	0.999	0.999	0.800

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	285	Microlytic MCSG-1 screen D12: 20% (w/V) PDG 3350, 200mM ammonium chloride; CrneC.01141.a.B12.PW38396 at 19.46mg/ml + 2.5mM ADP + 2.5mM MgCl2; tray 299998 D12; cryo: 20% EG + 2.5mM ADP/MgCl2; puck pjn0-4