6PA3

E. coli L-asparaginase II double mutant (T89V,K162T) in complex with L-Asn at pH 7.0

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	CCD
Collection date	2016-03-05
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.00000
Spacegroup name	C 1 2 1
Unit cell lengths	152.852, 62.990, 141.293
Unit cell angles	90.00, 117.83, 90.00

Refinement procedure

Resolution	40.000 - 1.650
R-factor	0.15
Rwork	0.149
R-free	0.18410
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.019
RMSD bond angle	1.909
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.710
High resolution limit [Å]	1.650	3.550	1.650
Rmerge	0.077	0.054	0.431
Rmeas	0.090	0.063	0.521
Rpim	0.046	0.033	0.288
Total number of observations	526021
Number of reflections	141828	14527	13667
<I/σ(I)>	8.6
Completeness [%]	99.7	99.8	97
Redundancy	3.7	3.7	3.1
CC(1/2)		0.994	0.782

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	298	Crystals were grown in 0.17 M NH4-citrate, pH 7.0, 17-18% PEG3350, 10 mM L-Asn