4H4G

Crystal Structure of (3R)-hydroxymyristoyl-[acyl-carrier-protein] dehydratase from Burkholderia thailandensis E264

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	IMAGE PLATE
Collection date	2012-07-20
Detector	MAR scanner 300 mm plate
Wavelength(s)	0.97872
Spacegroup name	P 61 2 2
Unit cell lengths	136.370, 136.370, 364.520
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	49.556 - 2.650
R-factor	0.1874
Rwork	0.184
R-free	0.24680
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1U1Z monomer
RMSD bond length	0.014
RMSD bond angle	1.552
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.8_1069)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000		2.720
High resolution limit [Å]	2.650	11.850	2.650
Rmerge	0.084	0.033	0.428
Number of reflections	218698	2255	16254
<I/σ(I)>	12.28	29.73	2.84
Completeness [%]	99.3	90.7	99.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	289	10% w/v PEG 20 000, 20% v/v PEG MME 550, 0.02 M of each carboxylic acid, 0.1 M bicine/Trizma base pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 289K