8BQO

Structure of E.coli Class 2 L-asparaginase EcAIII, mutant M200I

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SEALED TUBE
Source details	Agilent SuperNova
Temperature [K]	100
Detector technology	CCD
Collection date	2021-07-05
Detector	AGILENT ATLAS CCD
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	52.923, 77.671, 148.280
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	17.209 - 2.100
Rwork	0.182
R-free	0.23150
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2zal
RMSD bond length	0.009
RMSD bond angle	1.523
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]	17.210	2.160
High resolution limit [Å]	2.100	2.100
Rmerge	0.142	0.663
Rmeas	0.169	0.838
Number of reflections	35616	2887
<I/σ(I)>	5.2	2.7
Completeness [%]	97.9	99
Redundancy	2.9	2.3
CC(1/2)	0.983	0.514

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	293	20-30% PEG4000,10-15% PEG400, 0.2M MgCl2 in 100mM Tris-HCl pH 8.5