7T71

Crystal Structure of Mevalonate 3,5-Bisphosphate Decarboxylase from Picrophilus Torridus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-03-03
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9791
Spacegroup name	P 21 21 2
Unit cell lengths	153.560, 125.490, 52.140
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	97.170 - 2.190
R-factor	0.187
Rwork	0.184
R-free	0.20700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3qt5
RMSD bond length	0.010
RMSD bond angle	1.000
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MrBUMP
Refinement software	BUSTER

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	97.170	97.170	2.250
High resolution limit [Å]	2.190	9.800	2.190
Rmerge	0.111	0.045	0.876
Rmeas	0.117	0.047	0.924
Number of reflections	52437	692	3546
<I/σ(I)>	15.42	37.21	2.92
Completeness [%]	99.4	99.9	92.4
Redundancy	10.838	9.727	9.669
CC(1/2)	0.998	0.996	0.852

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	298	Final drop concentration: 1.4 M sodium malonate, 1.0 M NaCl, protein concentration 5.5 mg/ml