7OS3

Crystal structure of Rhizobium etli inducible L-asparaginase ReAV solved by S-SAD (orthorhombic form START)

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	2019-04-07
Detector	DECTRIS PILATUS 6M
Wavelength(s)	2.0664
Spacegroup name	P 21 21 21
Unit cell lengths	78.150, 91.050, 105.840
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	69.024 - 2.177
Rwork	0.168
R-free	0.22380
Structure solution method	SAD
RMSD bond length	0.008
RMSD bond angle	1.443
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	HKL2Map
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	69.024	2.230
High resolution limit [Å]	2.177	2.180
Rmerge	0.088	0.694
Number of reflections	75182	4503
<I/σ(I)>	21.74	2.07
Completeness [%]	98.3	79.4
Redundancy	17.8	4.1
CC(1/2)	0.990	0.850

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		292	25% PEG3350, 0.2 M Li2SO4, 0.01% (w/v) heptane-1,2,3-triol, 0.1 M Tris pH 8.0