4DPW

Crystal structure of Staphylococcus epidermidis D283A mevalonate diphosphate decarboxylase complexed with mevalonate diphosphate and ATPgS

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	93
Detector technology	CCD
Collection date	2011-10-15
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.000
Spacegroup name	P 21 21 21
Unit cell lengths	96.459, 99.445, 314.418
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.360 - 2.605
R-factor	0.1998
Rwork	0.199
R-free	0.25080
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3qt5
RMSD bond length	0.009
RMSD bond angle	1.121
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	2.670
High resolution limit [Å]	2.600	2.600
Rmerge	0.203	0.592
Number of reflections	87018
<I/σ(I)>	7.57	3.75
Completeness [%]	95.2	88
Redundancy	7.6

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