6PAA

E. coli L-asparaginase II mutant (T12V) in complex with L-Asp at pH 5.5

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-11-05
Detector	DECTRIS EIGER R 4M
Wavelength(s)	1.5418
Spacegroup name	C 1 2 1
Unit cell lengths	151.837, 62.472, 143.373
Unit cell angles	90.00, 118.11, 90.00

Refinement procedure

Resolution	40.000 - 1.850
R-factor	0.1727
Rwork	0.170
R-free	0.22860
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.020
RMSD bond angle	1.893
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	1.880
High resolution limit [Å]	1.850	5.020	1.850
Rmerge	0.053	0.039	0.394
Rmeas	0.064	0.046	0.529
Rpim	0.035	0.024	0.350
Total number of observations	277746
Number of reflections	92363	5151	2787
<I/σ(I)>	14.9
Completeness [%]	91.0	97.9	55.1
Redundancy	3	3.5	1.9
CC(1/2)		0.997	0.726

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	298	Crystals were grown 0.17 M NH4-citrate, pH 5.5, 17-18% PEG3350, 5 mM L-Asp