8E0S

DAHP (3-deoxy-D-arabinoheptulosonate-7-phosphate) Synthase complexed with DAHP Oxime in unbound:(bound)2:unbound conformations

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X12B
Synchrotron site	NSLS
Beamline	X12B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2010-01-28
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.1
Spacegroup name	C 1 2 1
Unit cell lengths	209.881, 53.127, 150.415
Unit cell angles	90.00, 115.44, 90.00

Refinement procedure

Resolution	30.860 - 1.650
R-factor	0.1853
Rwork	0.185
R-free	0.19920
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5cks
RMSD bond length	0.009
RMSD bond angle	1.011
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]	71.720	1.680
High resolution limit [Å]	1.650	1.650
Rmerge	0.043	0.388
Rmeas	0.050	0.456
Rpim	0.027	0.237
Number of reflections	178625	8786
<I/σ(I)>	14.7	2.6
Completeness [%]	99.4	99.4
Redundancy	3.6	3.6
CC(1/2)	0.999	0.895

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 D-(+)-glucose