1OAB

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Temperature [K]	105
Detector technology	IMAGE PLATE
Collection date	2000-07-15
Detector	MARRESEARCH
Spacegroup name	C 1 2 1
Unit cell lengths	196.636, 50.502, 64.930
Unit cell angles	90.00, 106.36, 90.00

Refinement procedure

Resolution	19.900 * - 1.900
R-factor	0.162
Rwork	0.160
R-free	0.20200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1hfb
RMSD bond length	0.025
RMSD bond angle	1.900 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	EPMR
Refinement software	REFMAC (5.1.08)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.900 *	1.950
High resolution limit [Å]	1.900	1.900
Rmerge	0.105 *	0.380
Total number of observations	178093 *
Number of reflections	48773 *
<I/σ(I)>	8.34	2.9
Completeness [%]	99.3	96.9 *
Redundancy	3.63	3.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	8	4 *	TRIS PH 7.5-9.0 10 MM, 20% PEG3400, 5% GLYCEROL, 4 EQUIV. PEP, 13-17MG/ML DAHPS

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	13-18 (mg/ml)
2	1	drop	Tris	10 (mM)	pH7.5-9
3	1	reservoir	PEG3400	9-17 (%(w/v))
4	1	reservoir	glycerol	5 (%(v/v))
5	1	reservoir	Tris	10 (mM)	pH7.5-9