6I8F

STRUCTURE OF ESTER-HYDROLASE EH1AB1 FROM THE METAGENOME OF LAKE ARREO

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-1
Synchrotron site	ESRF
Beamline	MASSIF-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-10-05
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.966000
Spacegroup name	P 21 21 21
Unit cell lengths	82.226, 86.045, 98.166
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.020 - 2.110
R-factor	0.16208
Rwork	0.160
R-free	0.19771
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5jd4
RMSD bond length	0.007
RMSD bond angle	1.192
Data reduction software	XDS
Data scaling software	Aimless (1.11.12)
Phasing software	MOLREP (11.6.02)
Refinement software	REFMAC (5.8.0222)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.020	2.170
High resolution limit [Å]	2.110	2.110
Rmerge	0.124	0.641
Rpim	0.057	0.296
Number of reflections	40731	3301
<I/σ(I)>	10.6	3.1
Completeness [%]	99.9	100
Redundancy	5.8	5.8
CC(1/2)	0.995	0.776

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	291	45 % PEG P400, 0.1 M BIS-TRIS pH 6.5