6UOD

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	2018-08-30
Detector	DECTRIS PILATUS 2M
Wavelength(s)	1.4588
Spacegroup name	C 1 2 1
Unit cell lengths	152.215, 60.084, 142.786
Unit cell angles	90.00, 117.99, 90.00

Refinement procedure

Resolution	38.578 - 2.400
R-factor	0.2004
Rwork	0.198
R-free	0.25150
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]	47.108	47.108	2.450
High resolution limit [Å]	2.310	6.880	2.310
Rmerge	0.034	0.017	0.142
Rmeas	0.047	0.023	0.193
Total number of observations	148792
Number of reflections	87788	3364	12027
<I/σ(I)>	13.85	35.06	3.53
Completeness [%]	90.0	90	76.5
Redundancy	1.695	1.762	1.474
CC(1/2)	0.998	0.999	0.967

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.9	298	0.2 M Magnesium acetate tetrahydrate, 20% w/v Polyethylene glycol 3,350, L-Aspartic 1 mM