5DND

Crystal structure of the Asn-bound guinea pig L-asparaginase 1 catalytic domain active site mutant T116A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	100
Detector technology	CCD
Collection date	2015-04-23
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97857
Spacegroup name	I 2 2 2
Unit cell lengths	123.860, 154.780, 157.280
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 2.290
R-factor	0.20968
Rwork	0.208
R-free	0.24229
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4r8l
RMSD bond length	0.010
RMSD bond angle	1.320
Data reduction software	XDS
Refinement software	REFMAC (5.8.0073)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.430
High resolution limit [Å]	2.290	2.290
Number of reflections	66847
<I/σ(I)>	13.38
Completeness [%]	98.5	95.2
Redundancy	5.2	5.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	0.1 M HEPES pH 7.0, 12-15% PEG 4000