1VH5

Crystal structure of a putative thioesterase

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	APS BEAMLINE 32-ID
Synchrotron site	APS
Beamline	32-ID
Detector technology	IMAGE PLATE
Detector	RIGAKU
Wavelength(s)	0.9794, 1.5418
Spacegroup name	P 21 21 2
Unit cell lengths	79.624, 69.937, 49.662
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	12.270 - 1.470 *
Rwork	0.188
R-free	0.22800
Structure solution method	MAD
RMSD bond length	0.013
RMSD bond angle	1.500
Data reduction software	MOSFLM
Data scaling software	SCALA
Refinement software	REFMAC (4.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	52.710	1.350
High resolution limit [Å]	1.470 *	1.280
Rmerge	0.068 *	0.270 *
Number of reflections	47125 *
<I/σ(I)>	11.6	4.2
Completeness [%]	98.6 *	91.6 *
Redundancy	9.2 *	5.3 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7.5 *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	HEPES	10 (mM)	pH7.5
2	1	drop		150 (mM)
3	1	drop	methionine	10 (mM)
4	1	drop	glycerol	10 (%)
5	1	drop	dithiothreitol	5 (mM)
6	1	drop	protein	10 (mg/ml)