4C1K

Crystal structure of pyrococcus furiosus 3-deoxy-D-arabino- heptulosonate 7-phosphate synthase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX1
Synchrotron site	Australian Synchrotron
Beamline	MX1
Temperature [K]	100
Detector technology	CCD
Collection date	2011-07-13
Detector	ADSC CCD
Spacegroup name	C 1 2 1
Unit cell lengths	185.449, 79.670, 144.215
Unit cell angles	90.00, 119.69, 90.00

Refinement procedure

Resolution	19.650 - 2.150
R-factor	0.19072
Rwork	0.189
R-free	0.23088
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1zco
RMSD bond length	0.010
RMSD bond angle	1.462
Data reduction software	iMOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC (5.7.0029)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.670	19.670
High resolution limit [Å]	2.150	2.150
Rmerge	0.180	0.460
Number of reflections	97252
<I/σ(I)>	13.8	2.9
Completeness [%]	98.0	97.1
Redundancy	3.6	3.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		6.5		PROTEIN SOLUTION WAS MIXED 1:1 WITH CRYSTALIZATION SLUTION CONTAINING 100 MICROMCDCL2, 0.2M SODIUM CITRATE, 0.1M BTP, PH 6.5, 20% PEG3350. DROP SIZE WAS 2 MICRO L AND PROTEIN CONCENTRATION WAS 6.5 MG/ML IN 20 MM BTP, 40 MM KCL, PH 7.5.