6UOG

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)	1.459
Spacegroup name	P 1 21 1
Unit cell lengths	139.989, 60.162, 151.108
Unit cell angles	90.00, 117.31, 90.00

Refinement procedure

Resolution	47.070 - 2.290
R-factor	0.2265
Rwork	0.225
R-free	0.26220
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ihd
RMSD bond length	0.002
RMSD bond angle	1.234
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	REFMAC (5.8.0232)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.570	48.570	2.260
High resolution limit [Å]	2.130	6.350	2.130
Rmerge	0.084	0.059	0.358
Rmeas	0.106	0.074	0.460
Total number of observations	529056
Number of reflections	214114	8652	25738
<I/σ(I)>	7.66	16.62	2.09
Completeness [%]	87.4	92.9	65
Redundancy	2.471	2.507	2.168
CC(1/2)	0.993	0.993	0.762

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