6UOH

Asparaginase II from Escherichia coli

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	LNLS BEAMLINE W01B-MX2
Synchrotron site	LNLS
Beamline	W01B-MX2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-08-31
Detector	DECTRIS PILATUS 2M
Wavelength(s)	1.459
Spacegroup name	C 1 2 1
Unit cell lengths	75.384, 133.553, 63.914
Unit cell angles	90.00, 110.34, 90.00

Refinement procedure

Resolution	32.024 - 2.100
R-factor	0.2245
Rwork	0.222
R-free	0.27710
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ihd
Data reduction software	XDS (VERSION Jan 26, 2018 BUILT=20180808)
Data scaling software	XDS (VERSION Jan 26, 2018 BUILT=20180808)
Phasing software	MrBUMP (00.9.00)
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	44.601	44.601	2.000
High resolution limit [Å]	1.890	5.620	1.890
Rmerge	0.035	0.015	0.449
Rmeas	0.043	0.018	0.570
Total number of observations	236478
Number of reflections	84730	3461	9572
<I/σ(I)>	18.09	56.95	1.88
Completeness [%]	89.8	95.9	62.7
Redundancy	2.791	2.882	2.234
CC(1/2)	0.999	0.999	0.849

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.1	298	(Hampton Research) PEG-ion I 30 - 0.2 M Ammonium acetate, 20% w/v Polyethylene glycol 3,350