6W7I

LmFPPS mutant T164W in complex with 476A, IPP & Ca

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E DW
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2010-08-02
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	58.932, 79.977, 81.175
Unit cell angles	90.00, 106.39, 90.00

Refinement procedure

Resolution	77.850 - 2.100
R-factor	0.1868
Rwork	0.184
R-free	0.23850
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	4jzx
RMSD bond length	0.009
RMSD bond angle	1.165
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	REFMAC
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	77.850	50.000	2.180
High resolution limit [Å]	2.100	4.520	2.100
Rmerge	0.072	0.048	0.217
Number of reflections	38828	4249	2404
<I/σ(I)>	15.5
Completeness [%]	92.1	98.9	57.8
Redundancy	3.2	3.5	1.9

Crystallization Conditions

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