3UTD

Ec_IspH in complex with 4-oxopentyl diphosphate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2011-04-13
Detector	PSI PILATUS 6M
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	70.110, 80.390, 111.240
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.730 - 1.700
R-factor	0.14884
Rwork	0.146
R-free	0.20607
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ke8
RMSD bond length	0.020
RMSD bond angle	2.043
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	REFMAC (5.5.0072)
Refinement software	REFMAC (5.5.0072)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	1.800
High resolution limit [Å]	1.700	1.700
Rmerge	0.059	0.513
Number of reflections	69837
<I/σ(I)>	16.5	3.4
Completeness [%]	99.5	99.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	0.1 M BIS-TRIS, 0.2 M ammonia sulfate, 25% PEG3350, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K