6EFW

Crystal structure of a YjeF family protein from Cryptococcus neoformans var. grubii serotype A

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	2018-08-02
Detector	RAYONIX MX-300
Wavelength(s)	0.97872
Spacegroup name	I 4 2 2
Unit cell lengths	85.420, 85.420, 187.080
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.980 - 1.900
R-factor	0.1661
Rwork	0.163
R-free	0.20470
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	predicted structure from Robetta server
RMSD bond length	0.000
RMSD bond angle	0.910
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.14_3211)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	36.980	36.980	1.950
High resolution limit [Å]	1.900	8.500	1.900
Rmerge	0.060	0.022	0.538
Rmeas	0.063	0.023	0.571
Number of reflections	27708	370	1988
<I/σ(I)>	26.39	57.09	4.29
Completeness [%]	99.8	97.1	98.5
Redundancy	11.693	9.77	8.884
CC(1/2)	0.999	1.000	0.922

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.1	285	Optimization screen based on RigakuReagents JCSG+ screen, condition A3: 40% PEG 200, 100mM KH2PO4/Na2HPO4 pH 6.1, 200mM NaCl; CrneC.19313.a.B1.PS38377 at 15mg/ml; cryo: direct; tray 302563a3, puck VLL3-1