8BI3

Structure of E. coli Class 2 L-asparaginase EcAIII, mutant M200W (crystal M200W#1)

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P13 (MX1)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-05-05
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97630
Spacegroup name	P 21 21 21
Unit cell lengths	62.692, 70.844, 149.581
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	74.790 - 1.452
Rwork	0.127
R-free	0.16210
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2zal
RMSD bond length	0.009
RMSD bond angle	1.495
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	74.790	1.480
High resolution limit [Å]	1.450	1.450
Rmerge	0.085	1.828
Rmeas	0.088	1.907
Number of reflections	117826	5374
<I/σ(I)>	16.1	1.6
Completeness [%]	99.6
Redundancy	13	12.4
CC(1/2)	0.999	0.797

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	293	20-30% PEG4000, 10-15% PEG400, 0.2 M CaCl2 in 100 mM Tris-HCl pH 8.5