9BAD

Crystal structure of Bacillus subtilis 168 L-asparaginase II with antileukemic activity

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	LNLS SIRIUS BEAMLINE MANACA
Synchrotron site	LNLS SIRIUS
Beamline	MANACA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-12-03
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.97718
Spacegroup name	P 21 21 21
Unit cell lengths	102.234, 104.486, 123.055
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.130 - 1.300
R-factor	0.13695
Rwork	0.136
R-free	0.16433
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.678
Data reduction software	XDS (1.08)
Data scaling software	pointless (1.12.12)
Phasing software	MOLREP (11.9.02)
Refinement software	REFMAC (5.8.0419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.135	1.320
High resolution limit [Å]	1.300	1.300
Number of reflections	321574	31082
<I/σ(I)>	1.5	1.2
Completeness [%]	100.0	100
Redundancy	1.9	2
CC(1/2)	0.990	0.540

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	285.15	PEG 400 25 %, HEPES 0.1 M, NaCl 0.1 M