6V24

Complex of mutant (K162M) of E. coli L-asparaginase II with L-Asp. Covalent acyl-enzyme intermediate.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-01-20
Detector	DECTRIS EIGER X 4M
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	62.331, 126.117, 76.192
Unit cell angles	90.00, 96.32, 90.00

Refinement procedure

Resolution	39.580 - 1.900
R-factor	0.145
Rwork	0.143
R-free	0.19000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3eca monomer A
RMSD bond length	0.016
RMSD bond angle	2.061
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	1.930
High resolution limit [Å]	1.900	5.150	1.900
Rmerge	0.062	0.017	0.458
Rmeas	0.073	0.020	0.565
Rpim	0.038	0.010	0.324
Total number of observations	312393
Number of reflections	90928	4645	4221
<I/σ(I)>	8.8
Completeness [%]	98.5	98.7	92.1
Redundancy	3.4	3.6	2.6
CC(1/2)		0.998	0.616

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