6PA2

E. coli L-asparaginase II mutant (K162M) in complex with L-Asp at pH 5.6

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-04-25
Detector	DECTRIS EIGER R 4M
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	62.180, 124.475, 81.737
Unit cell angles	90.00, 112.43, 90.00

Refinement procedure

Resolution	26.110 - 1.900
R-factor	0.1377
Rwork	0.136
R-free	0.18910
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.020
RMSD bond angle	2.025
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	1.930
High resolution limit [Å]	1.900	5.150	1.900
Rmerge	0.073	0.031	0.546
Rmeas	0.086	0.036	0.685
Rpim	0.045	0.019	0.406
Total number of observations	284025
Number of reflections	83714	4541	2793
<I/σ(I)>	8.5
Completeness [%]	92.5	98.5	62.2
Redundancy	3.4	3.6	2.5
CC(1/2)		0.996	0.051

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	298	Crystals were grown in 0.17 M NH4-citrate, pH 5.6, 17-18% PEG3350, 10 mM L-Asp