6EFX

Crystal structure of a YjeF family protein from Cryptococcus neoformans var. grubii serotype A in complex with AMPPNP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E+ SUPERBRIGHT
Temperature [K]	100
Detector technology	CCD
Collection date	2018-07-12
Detector	RIGAKU SATURN 944+
Wavelength(s)	1.5418
Spacegroup name	I 4 2 2
Unit cell lengths	85.340, 85.340, 187.930
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.982 - 2.000
R-factor	0.1675
Rwork	0.164
R-free	0.21080
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	predicted structure from Robetta
RMSD bond length	0.000
RMSD bond angle	0.930
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]	46.982	46.982	2.050
High resolution limit [Å]	2.000	8.940	2.000
Rmerge	0.078	0.021	0.574
Rmeas	0.081	0.023	0.620
Total number of observations	256552
Number of reflections	23914	327	1722
<I/σ(I)>	22.84	72.8	3.41
Completeness [%]	99.9	97.3	99.9
Redundancy	10.728	9.875	7.046
CC(1/2)	0.999	1.000	0.889

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.7	285	Optimization screen based on RigakuReagents JCSG+ screen, condition D3: 49% PEG 200, 100mM KH2PO4/Na2HPO4 pH 5.7, 100mM NaCl: CrneC.19313.a.B1.PS38377 at 15mg/ml + 2.5mM MgCl2 + 2.5mM AMPPNP: cryo: 10% EG + compounds: tray 301295g1, puck HWU2-5