7R5Q

Escherichia coli type II Asparaginase N24S mutant in complex with GLU

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM30A
Synchrotron site	ESRF
Beamline	BM30A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-11-14
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	1
Spacegroup name	C 1 2 1
Unit cell lengths	151.029, 61.946, 142.564
Unit cell angles	90.00, 118.31, 90.00

Refinement procedure

Resolution	47.810 - 1.900
R-factor	0.1704
Rwork	0.170
R-free	0.19760
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3eca
Data reduction software	XDS (1.0)
Data scaling software	Aimless (0.7.4)
Phasing software	PHASER (2.7.16)
Refinement software	PHENIX (1.19.2)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.810	47.810	1.590
High resolution limit [Å]	1.570	8.590	1.570
Rmerge	0.066	0.026	2.925
Rmeas	0.081	0.031	3.608
Rpim	0.046	0.018	2.085
Total number of observations	477220	3034	21346
Number of reflections	161081	1015	7472
<I/σ(I)>	7.8	35.5	0.4
Completeness [%]	99.1	96.2	92.9
Redundancy	3	3	2.9
CC(1/2)	0.997	0.997	0.132

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	294	HEPES pH 8.0, PEG 8000 7.5%, ETHYLENE GLYCOL 6%