4C1L

Crystal structure of pyrococcus furiosus 3-deoxy-D-arabino- heptulosonate 7-phosphate synthase I181D interface mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	CCD
Collection date	2012-10-20
Detector	ADSC CCD
Spacegroup name	I 2 2 2
Unit cell lengths	87.942, 110.923, 143.531
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.970 - 1.800
R-factor	0.16517
Rwork	0.164
R-free	0.18331
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1zco
RMSD bond length	0.007
RMSD bond angle	1.254
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC (5.7.0029)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.590	44.590
High resolution limit [Å]	1.800	1.800
Rmerge	0.070	0.660
Number of reflections	65170
<I/σ(I)>	13.4	4.5
Completeness [%]	100.0	100
Redundancy	14.9	14.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		5.5		PROTEIN SOLUTION WAS MIXED 1:1 WITH CRYSTALIZATION SLUTION CONTAINING, 0.2M MAGNESIUM CHLORIDE, 0.1M SODIUM ACETATE, PH 5.5, 8% PEG 20K AND 8% PEG 550MME. DROP SIZE WAS 2 MICRO L AND PROTEIN CONCENTRATION WAS 6.5 MG/ML IN 20 MM BTP, 40 MM KCL, PH 7.5.