6KMO

Crystal structure of a novel esterase CinB from Enterobacter asburiae

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	CCD
Collection date	2019-04-16
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.979617
Spacegroup name	P 1 21 1
Unit cell lengths	65.086, 89.396, 68.929
Unit cell angles	90.00, 111.26, 90.00

Refinement procedure

Resolution	36.690 - 1.450
R-factor	0.1277
Rwork	0.127
R-free	0.15120
Structure solution method	SAD
RMSD bond length	0.008
RMSD bond angle	0.978
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.15.2_3472)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.480
High resolution limit [Å]	1.450	1.450
Number of reflections	129477	12496
<I/σ(I)>	20.125
Completeness [%]	99.7
Redundancy	3.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.6	287.15	0.16 M Ammonium acetate, 0.1 M Sodium citrate tribasic dehydrate PH 5.6, 22% (w/v) Polyethylene glycol 4000