8E0V

DAHP (3-deoxy-D-arabinoheptulosonate-7-phosphate) Synthase complexed with Mn(II), PEP, and Pi in unbound:(bound)2:other Conformations

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X25
Synchrotron site	NSLS
Beamline	X25
Temperature [K]	100
Detector technology	PIXEL
Collection date	2011-02-24
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.1
Spacegroup name	C 1 2 1
Unit cell lengths	210.193, 52.908, 150.481
Unit cell angles	90.00, 115.71, 90.00

Refinement procedure

Resolution	49.650 - 2.300
R-factor	0.1953
Rwork	0.194
R-free	0.22760
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5cks
RMSD bond length	0.012
RMSD bond angle	1.351
Data reduction software	autoPROC (1.0.5)
Data scaling software	autoPROC (1.0.5)
Phasing software	PHASER (2.8.3)
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	64.450	2.360
High resolution limit [Å]	2.300	2.300
Rmerge	0.078	0.391
Rmeas	0.091	0.461
Rpim	0.047	0.241
Number of reflections	66903	4452
<I/σ(I)>	12.8	3.2
Completeness [%]	96.1	99.9
Redundancy	3.7	3.6
CC(1/2)	0.997	0.883

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	277	0.1 M trilithium citrate tetrahydrate, 10% (w/v) PEG 3350, 5 mM erythrose 4-phosphate, 5 mM phosphoenolpyruvate, 30% (w/v) D-(+)-galactose