7M11

L-asparaginase from Escherichia coli with bound Aspartic acid

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	LNLS BEAMLINE W01B-MX2
Synchrotron site	LNLS
Beamline	W01B-MX2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-08-10
Detector	DECTRIS PILATUS 2M
Wavelength(s)	1.4587
Spacegroup name	P 1 21 1
Unit cell lengths	58.838, 126.545, 68.903
Unit cell angles	90.00, 107.36, 90.00

Refinement procedure

Resolution	47.180 - 1.830
R-factor	0.2073
Rwork	0.206
R-free	0.25240
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3eca
RMSD bond length	0.010
RMSD bond angle	1.284
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.180	47.180	1.940
High resolution limit [Å]	1.830	5.460	1.830
Rmerge	0.139	0.040
Rmeas	0.167	0.048
Total number of observations	459284
Number of reflections	148021	6182	11489
<I/σ(I)>	5.83	25.86	0.28
Completeness [%]	88.5	97.7	42.4
Redundancy	3.103	3.261	1.879
CC(1/2)	0.995	0.998	0.127

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291.15	0.1 M Sodium acetate pH 4.6, 8 % w/v PEG 4000