7R6B

Crystal structure of mutant R43D/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	2020-03-06
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0
Spacegroup name	C 2 2 21
Unit cell lengths	100.263, 115.893, 127.548
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.850 - 2.030
R-factor	0.1724
Rwork	0.170
R-free	0.21810
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ntx
RMSD bond length	0.015
RMSD bond angle	1.993
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	2.070
High resolution limit [Å]	2.030	2.030
Rmerge	0.092	0.920
Rpim	0.042	0.470
Number of reflections	47794	2370
<I/σ(I)>	22	2.1
Completeness [%]	98.7	99.5
Redundancy	5.7	4.6
CC(1/2)	0.997	0.719

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	8	293	0.2 M Calcium acetate, 10% (w/v) PEG 8000, 0.1 M Imidazole/ Hydrochloric acid, pH 8.0