4WY5

Structural analysis of two fungal esterases from Rhizomucor miehei explaining their substrate specificity

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BSRF BEAMLINE 3W1A
Synchrotron site	BSRF
Beamline	3W1A
Temperature [K]	90
Detector technology	CCD
Collection date	2013-08-15
Detector	MAR CCD 165 mm
Wavelength(s)	0.9791
Spacegroup name	P 1
Unit cell lengths	56.691, 64.528, 64.792
Unit cell angles	106.81, 116.37, 103.64

Refinement procedure

Resolution	31.800 - 2.430
R-factor	0.1811
Rwork	0.177
R-free	0.22560
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.242
Data scaling software	HKL-2000
Phasing software	AUTOMAR
Refinement software	PHENIX ((phenix.refine: 1.8.2_1309))

Data quality characteristics

	Overall
Low resolution limit [Å]	31.800
High resolution limit [Å]	2.430
Rmerge	0.079
Number of reflections	26738
<I/σ(I)>	19.92
Completeness [%]	94.0
Redundancy	2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	293	25% (w/v)PEG3350; 0.2M (NH4)2SO4; 0.1M MES buffer pH6.0