6V2G

Complex of mutant (K162M) of E. coli L-asparaginase II with L-Asp. Covalent acyl-enzyme intermediate and tetrahedral 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	2019-04-05
Detector	DECTRIS EIGER X 4M
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	62.097, 125.971, 76.376
Unit cell angles	90.00, 96.70, 90.00

Refinement procedure

Resolution	24.930 - 1.900
R-factor	0.151
Rwork	0.149
R-free	0.20700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3eca monomer A
RMSD bond length	0.019
RMSD bond angle	2.285
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	0.044	0.015	0.523
Rmeas	0.053	0.017	0.658
Rpim	0.029	0.009	0.393
Total number of observations	289481
Number of reflections	90100	4688	3360
<I/σ(I)>	13.7
Completeness [%]	97.4	99.3	72.6
Redundancy	3.2	3.6	2.3
CC(1/2)		0.999	0.484

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5	293	0.17 M sodium-citrate pH 6 and 18% (w/v) PEG3350, 5 mM L-Asp