6PAC

E. coli L-asparaginase II 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	2018-06-24
Detector	DECTRIS EIGER R 4M
Wavelength(s)	1.5418
Spacegroup name	C 1 2 1
Unit cell lengths	151.178, 62.395, 140.665
Unit cell angles	90.00, 117.55, 90.00

Refinement procedure

Resolution	40.000 - 1.600
R-factor	0.1318
Rwork	0.131
R-free	0.17190
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.020
RMSD bond angle	1.939
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0189)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	40.000	40.000	1.630
High resolution limit [Å]	1.600	4.340	1.600
Rmerge	0.019	0.009	0.269
Rmeas	0.024	0.011	0.365
Rpim	0.013	0.006	0.243
Total number of observations	337531
Number of reflections	135099	7853	4189
<I/σ(I)>	21
Completeness [%]	88.0	99	54.9
Redundancy	2.5	3.3	1.4
CC(1/2)		0.999	0.710

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, then soaked for 1 min in solution with 5 mM L-Asp