1OFQ

CRYSTAL STRUCTURE OF THE TYROSINE-REGULATED 3-DEOXY-D-ARABINO-HEPTULOSONATE-7-PHOSPHATE SYNTHASE FROM SACCHAROMYCES CEREVISIAE IN COMPLEX WITH MANGANESE(II)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE X13
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	X13
Temperature [K]	105
Detector technology	CCD
Collection date	2001-11-15
Detector	MARRESEARCH
Spacegroup name	P 31 2 1
Unit cell lengths	105.731, 105.731, 268.782
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.980 - 2.700
R-factor	0.221
Rwork	0.221
R-free	0.24500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1hfb
RMSD bond length	0.006
RMSD bond angle	1.200
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	EPMR
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.800	2.500
High resolution limit [Å]	2.400	2.400
Rmerge	0.046	0.199
Number of reflections	68895
<I/σ(I)>	26.5	13.5
Completeness [%]	99.5	100
Redundancy	8.8	6.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		8	277	TRIS PH 7.5-9.0 10 MM 20% PEG3400, 2.4 EQUIV. MN, 13-17MG/ML DAHPS, 4 DEGREE