6XR5

Crystal Structure of Diphosphomevalonate decarboxylase (MVD1) 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	2018-04-12
Detector	RAYONIX MX-300
Wavelength(s)	0.97872
Spacegroup name	P 1 21 1
Unit cell lengths	95.510, 168.050, 101.210
Unit cell angles	90.00, 90.14, 90.00

Refinement procedure

Resolution	48.320 - 1.700
R-factor	0.1564
Rwork	0.156
R-free	0.18160
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1j20 as per Morda
RMSD bond length	0.009
RMSD bond angle	0.976
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MoRDa
Refinement software	PHENIX (1.18.2)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.320	48.320	1.740
High resolution limit [Å]	1.700	7.600	1.700
Rmerge	0.052	0.022	0.439
Rmeas	0.060	0.026	0.530
Total number of observations	1298519
Number of reflections	347919	3958	25184
<I/σ(I)>	16.05	40.79	2.39
Completeness [%]	99.7	98.5	97.6
Redundancy	3.732	3.707	3.132
CC(1/2)	0.999	0.999	0.824

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	287	igaku Reagents MCSG1 screen D1: 200mM ammonium sulfate, 25% (w/V) PEG 3350, 100mM Bis-Tris / HCl pH 6.5: CrneC.18225.a.B1.PS38378 at 20.79mg/ml + 4mM AMPPNP / MgCl2:: tray: 297436d1 cryo: 15% EG: puck ihw4-7.