7C82

Crystal structure of AlinE4, a SGNH-hydrolase family esterase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	80
Detector technology	CCD
Collection date	2017-06-11
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97931
Spacegroup name	P 42 21 2
Unit cell lengths	79.783, 79.783, 61.010
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.460 - 1.180
Rwork	0.127
R-free	0.15460
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4jgg
RMSD bond length	0.019
RMSD bond angle	2.131
Data reduction software	HKL-2000
Phasing software	PHENIX
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.460	1.220
High resolution limit [Å]	1.180	1.180
Rmerge	0.073	0.645
Number of reflections	64489	5992
<I/σ(I)>	20
Completeness [%]	99.0
Redundancy	2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	291.15	1M Sodium acetate, 100mM HEPES, pH 7.5, 50mM Cadmium sulfate