3QT6

Crystal structure of Staphylococcus epidermidis mevalonate diphosphate decarboxylase complexed with inhibitor DPGP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-BM
Synchrotron site	APS
Beamline	22-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2011-02-05
Detector	MARMOSAIC 225 mm CCD
Spacegroup name	C 2 2 21
Unit cell lengths	82.670, 101.442, 154.639
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.601 - 2.047
R-factor	0.1851
Rwork	0.183
R-free	0.22580
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3qt5
RMSD bond length	0.007
RMSD bond angle	1.034
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.6.4_486))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.340	2.120
High resolution limit [Å]	2.047	2.050
Rmerge	0.091	0.505
Number of reflections	41213
<I/σ(I)>	26.6	5.1
Completeness [%]	98.2	100
Redundancy	13.9	13.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	298	0.25 M sodium formate, 16% w/v PEG3350, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K