7R6A

Crystal structure of mutant L124D/R125A/C273S of L-Asparaginase I from Yersinia pestis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-06-19
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	79.121, 98.911, 180.260
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.880 - 1.890
R-factor	0.1576
Rwork	0.157
R-free	0.21070
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ntx
RMSD bond length	0.018
RMSD bond angle	2.104
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.920
High resolution limit [Å]	1.890	1.890
Rmerge	0.088	0.718
Rpim	0.035	0.311
Number of reflections	113101	5625
<I/σ(I)>	22.8	2.2
Completeness [%]	99.1	99.9
Redundancy	7.2	6.1
CC(1/2)	0.997	0.783

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7	293	3.5 M Sodium formate, pH 7.0