6NTE

Crystal Structure of Synechocystis Dihydroxyacid Dehydratase (DHAD)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2016-03-11
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.97857
Spacegroup name	P 1 21 1
Unit cell lengths	79.790, 74.258, 80.680
Unit cell angles	90.00, 90.15, 90.00

Refinement procedure

Resolution	37.130 - 2.330
R-factor	0.1752
Rwork	0.172
R-free	0.22490
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2gp4
RMSD bond length	0.008
RMSD bond angle	0.988
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX (1.13_2998)
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	37.130	2.413
High resolution limit [Å]	2.330	2.330
Rmerge	0.111	0.714
Rmeas	0.124	0.805
Rpim	0.056	0.368
Number of reflections	40235	3829
<I/σ(I)>	12.12	2.13
Completeness [%]	99.2	95.25
Redundancy	4.7	4.6
CC(1/2)	0.997	0.709

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	298	0.2M Magnesium chloride hexahydrate, 0.1M BIS-TRIS, 25% PEG 3,350