6V26

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	2018-07-17
Detector	DECTRIS EIGER X 4M
Wavelength(s)	1.5418
Spacegroup name	C 1 2 1
Unit cell lengths	151.017, 62.287, 140.723
Unit cell angles	90.00, 117.54, 90.00

Refinement procedure

Resolution	24.950 - 1.800
R-factor	0.1866
Rwork	0.186
R-free	0.19600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3eca
RMSD bond length	0.018
RMSD bond angle	1.960
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	40.000	40.000	1.830
High resolution limit [Å]	1.800	4.880	1.800
Rmerge	0.073	0.048	0.324
Rmeas	0.088	0.057	0.413
Rpim	0.048	0.031	0.252
Total number of observations	296557
Number of reflections	99158	5472	3302
<I/σ(I)>	11.5
Completeness [%]	92.3	98.2	61.5
Redundancy	3	3.1	2.2
CC(1/2)		0.988	0.749

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	293	0.1 M sodium acetate, pH 5.6, 5 mM L-Asp, and 18-20% (w/v) PEG3350