6WW1

Crystal structure of the LmFPPS mutant E97Y

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E DW
Temperature [K]	100
Detector technology	CCD
Collection date	2010-08-02
Detector	RIGAKU SATURN 944
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	80.699, 86.078, 107.425
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.050
R-factor	0.2168
Rwork	0.213
R-free	0.29480
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	4jzx
RMSD bond length	0.016
RMSD bond angle	1.812
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	REFMAC
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	67.170	5.560	2.090
High resolution limit [Å]	2.050	4.420	2.050
Rmerge	0.077	0.041	0.241
Number of reflections	43443	2466	1852
<I/σ(I)>	11.8
Completeness [%]	90.6	99.5	78.7
Redundancy	4.7	7.2	2.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		291.5	100 mM MES, 15-25 % PEG 8000, 100-200 mM CaAcetate