6VJC

LmFPPS mutant T164Y in complex with 476A, IPP & Ca

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU300
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2010-07-21
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	80.525, 85.889, 107.202
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.980 - 1.800
R-factor	0.1603
Rwork	0.158
R-free	0.19940
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	4jzx
RMSD bond length	0.010
RMSD bond angle	1.658
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	REFMAC
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.860
High resolution limit [Å]	1.800	3.880	1.800
Rmerge	0.081	0.056	0.688
Total number of observations	422649
Number of reflections	67996	7308	5490
<I/σ(I)>	10.5
Completeness [%]	97.5	99.7	79.4
Redundancy	6.2	7	2.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		291.15	100 mM MES, 15-25 % PEG 8000, 100-200 mM CaAcetate