8HEA

Esterase2 (EaEst2) from Exiguobacterium antarcticum

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 5C (4A)
Synchrotron site	PAL/PLS
Beamline	5C (4A)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-05-26
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.9796
Spacegroup name	P 21 21 21
Unit cell lengths	50.362, 67.789, 89.617
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	31.700 - 1.740
R-factor	0.1968
Rwork	0.196
R-free	0.21320
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1tqh
RMSD bond length	0.016
RMSD bond angle	1.781
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.790
High resolution limit [Å]	1.740	1.740
Number of reflections	32327	1560
<I/σ(I)>	53.7
Completeness [%]	100.0
Redundancy	13
CC(1/2)	0.990	0.980

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		296	0.1M HEPES:NaOH (pH 7.5), 20% (w/v) PEG 8000