6PA9

E. coli L-asparaginase II mutant (T12V) in complex with L-Asn at pH 7.0

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-07-10
Detector	DECTRIS EIGER R 4M
Wavelength(s)	1.5418
Spacegroup name	P 21 21 2
Unit cell lengths	61.066, 68.912, 130.969
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.000 - 1.880
R-factor	0.1647
Rwork	0.162
R-free	0.21570
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.021
RMSD bond angle	2.001
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]	40.000	40.000	1.910
High resolution limit [Å]	1.880	5.100	1.880
Rmerge	0.044	0.017	0.614
Rmeas	0.049	0.019	0.702
Rpim	0.020	0.007	0.333
Total number of observations	240226
Number of reflections	42994	2448	1514
<I/σ(I)>	14.1
Completeness [%]	94.0	98.4	67.1
Redundancy	5.6	6.2	3.8
CC(1/2)		1.000	0.791

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, 5 mM L-Asn