5SWU

Dehydroquinate dehydratase from A. fumigatus AroM

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	100
Detector technology	CCD
Collection date	2014-02-03
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	.978
Spacegroup name	P 21 21 2
Unit cell lengths	85.193, 141.397, 46.400
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.680 - 2.100
R-factor	0.19398
Rwork	0.191
R-free	0.24669
RMSD bond length	0.010
RMSD bond angle	1.456
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.140
High resolution limit [Å]	2.100	2.100
Rmerge	0.099	0.673
Number of reflections	31559
<I/σ(I)>	16.7	1.7
Completeness [%]	94.2	72
Redundancy	5.6	4.4
CC(1/2)		0.812

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		297	Protein: 6.1 mg/ml, 0.5 M NaCl, 10 mM Tris pH 8.3, 1 mM BME Crystallization condition: JCSG+ F7 (qiagen), 0.8 M Succinic acid (pH 7)