4WY8

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	90
Detector technology	CCD
Collection date	2012-12-23
Detector	MAR CCD 165 mm
Wavelength(s)	0.9792
Spacegroup name	C 1 2 1
Unit cell lengths	151.125, 49.675, 183.214
Unit cell angles	90.00, 111.57, 90.00

Refinement procedure

Resolution	46.645 - 2.270
R-factor	0.1908
Rwork	0.188
R-free	0.23590
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1jji
RMSD bond length	0.009
RMSD bond angle	1.212
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX ((phenix.refine: 1.8.2_1309))

Data quality characteristics

	Overall
Low resolution limit [Å]	46.650
High resolution limit [Å]	2.270
Number of reflections	55910
<I/σ(I)>	15.08
Completeness [%]	94.5
Redundancy	3.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.9	293	20% (w/v) PEG4000; 10% (v/v) 2-propanol; 100mM HEPES buffer (pH7.5)