5J6F

Crystal structure of DAH7PS-CM complex from Geobacillus sp. with prephenate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	110
Detector technology	CCD
Collection date	2012-04-19
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.953700
Spacegroup name	P 64
Unit cell lengths	95.438, 95.438, 167.452
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	82.650 - 2.750
R-factor	0.18471
Rwork	0.182
R-free	0.23520
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3tfc
RMSD bond length	0.019
RMSD bond angle	2.120
Data reduction software	XDS
Data scaling software	Aimless (0.1.27)
Phasing software	PHASER
Refinement software	REFMAC (5.8.0107)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	82.650	83.730	2.880
High resolution limit [Å]	2.750	9.120	2.750
Rmerge	0.079	0.019	1.336
Number of reflections	22482
<I/σ(I)>	18
Completeness [%]	99.9	98.4	100
Redundancy	7.6	7.1	7.7
CC(1/2)	1.000

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION	6.5	298	A protein solution (11 mg/mL in 20 mM BTP, 40 mM KCl, 200 ??M PEP, pH 7.4) was mixed 1:1 (v/v) with a reservoir solution containing 0.2 M sodium citrate, 0.1 M BTP, pH 6.5, 20% W/V PEG 3350 and 0.2 mM chorismic acid. 2 ??L drop size. 500 ??L reservoir volume.