8E0U

DAHP (3-deoxy-D-arabinoheptulosonate-7-phosphate) Synthase complexed with Sulfate 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	2010-01-30
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.1
Spacegroup name	C 1 2 1
Unit cell lengths	210.527, 53.497, 150.585
Unit cell angles	90.00, 115.74, 90.00

Refinement procedure

Resolution	71.880 - 2.420
R-factor	0.2129
Rwork	0.211
R-free	0.23820
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5cks
RMSD bond length	0.010
RMSD bond angle	1.387
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]	71.880	2.470
High resolution limit [Å]	2.420	2.420
Rmerge	0.073	0.402
Rmeas	0.085	0.469
Rpim	0.044	0.241
Number of reflections	57022	2778
<I/σ(I)>	11.8	3.2
Completeness [%]	98.2	97.7
Redundancy	3.7
CC(1/2)	0.998	0.930

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	277	100 mM imidazole, pH 8, 0.2 M lithium sulfate, 10% (w/v) PEG 3000 1 mM Doxime 30% (v/v) ethylene glycol