4DU8

Crystal structure of Staphylococcus epidermidis D283A mevalonate diphosphate decarboxylase complexed with inhibitor DPGP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-BM-B
Synchrotron site	APS
Beamline	23-BM-B
Temperature [K]	93
Detector technology	CCD
Collection date	2011-12-12
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.000
Spacegroup name	C 2 2 21
Unit cell lengths	82.966, 102.050, 155.143
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.629 - 2.100
R-factor	0.189
Rwork	0.186
R-free	0.23870
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3qt5
RMSD bond length	0.007
RMSD bond angle	1.001
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.7_650)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.157
High resolution limit [Å]	2.100	2.100
Rmerge	0.093	0.538
Number of reflections	33987
<I/σ(I)>	19.3	3.58
Completeness [%]	92.3	80
Redundancy	6.3

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