8E0Z

DAHP (3-deoxy-D-arabinoheptulosonate-7-phosphate) Synthase unbound:(bound)2:unbound Conformations

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X12C
Synchrotron site	NSLS
Beamline	X12C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2010-04-27
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.1
Spacegroup name	C 1 2 1
Unit cell lengths	210.719, 53.130, 150.200
Unit cell angles	90.00, 115.46, 90.00

Refinement procedure

Resolution	43.370 - 2.400
R-factor	0.181
Rwork	0.179
R-free	0.21610
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5cks
RMSD bond length	0.009
RMSD bond angle	1.205
Data reduction software	MOSFLM (7.4.0)
Data scaling software	Aimless (0.7.7)
Phasing software	PHASER (2.8.3)
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	52.480	2.470
High resolution limit [Å]	2.400	2.400
Rmerge	0.085	0.172
Rmeas	0.101	0.205
Rpim	0.053	0.111
Number of reflections	58010	4122
<I/σ(I)>	8.9	4.5
Completeness [%]	97.7	91
Redundancy	3.3	2.9
CC(1/2)	0.990	0.952

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, 1 mM DAHP oxime, 30% (v/v) ethylene glycol, 1:1:0.2, then soaked with 8 mM DAHP oxime