8E0Y

DAHP (3-deoxy-D-arabinoheptulosonate-7-phosphate) Synthase complexed with DAHP oxime, Pr(III), 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	2010-01-30
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.1
Spacegroup name	C 1 2 1
Unit cell lengths	209.851, 53.254, 150.543
Unit cell angles	90.00, 115.59, 90.00

Refinement procedure

Resolution	46.470 - 2.010
R-factor	0.2027
Rwork	0.202
R-free	0.21940
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5cks
RMSD bond length	0.010
RMSD bond angle	1.367
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]	46.470	2.040
High resolution limit [Å]	2.010	2.010
Rmerge	0.063	0.280
Rmeas	0.073	0.330
Rpim	0.038	0.172
Number of reflections	98720	4845
<I/σ(I)>	12.1	3.4
Completeness [%]	97.5	96.1
Redundancy	3.6	3.6
CC(1/2)	0.998	0.947

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 Doxime, 0.1 M praseodymium(III) acetate hydrate, 1:1:0.2