6V25

Complex of mutant (K162M) of E. coli L-asparaginase II with L-Asp

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-05-22
Detector	DECTRIS EIGER X 4M
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	61.530, 123.967, 76.302
Unit cell angles	90.00, 96.80, 90.00

Refinement procedure

Resolution	24.610 - 1.780
R-factor	0.1374
Rwork	0.136
R-free	0.19280
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3eca
RMSD bond length	0.019
RMSD bond angle	2.222
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	1.810
High resolution limit [Å]	1.780	4.830	1.780
Rmerge	0.024	0.014	0.309
Rmeas	0.029	0.017	0.398
Rpim	0.017	0.009	0.246
Total number of observations	288124
Number of reflections	102698	5509	3370
<I/σ(I)>	21.3
Completeness [%]	94.3	99.1	62.3
Redundancy	2.8	3.5	1.9
CC(1/2)		0.998	0.829

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.2	293	0.1 M sodium acetate, pH 5.2, 5 mM L-Asp, and 18-20% (w/v) PEG3350