6V23

Ligand-free L-aspraginase II from E. coli (EcAII)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-05-04
Detector	DECTRIS EIGER X 4M
Wavelength(s)	1.5418
Spacegroup name	I 2 2 2
Unit cell lengths	62.028, 71.192, 130.030
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.440 - 1.750
R-factor	0.185
Rwork	0.182
R-free	0.24130
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3eca
RMSD bond length	0.019
RMSD bond angle	2.296
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0253)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	40.000	40.000	1.780
High resolution limit [Å]	1.750	4.750	1.750
Rmerge	0.046	0.037	0.489
Rmeas	0.050	0.040	0.591
Rpim	0.020	0.016	0.325
Total number of observations	162946
Number of reflections	27916	1567	1018
<I/σ(I)>	19
Completeness [%]	95.3	99.1	70.1
Redundancy	5.8	6.2	2.8
CC(1/2)		0.998	0.678

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.3	298	0.1 M magnesium formate and 16% (w/v) PEG3350