5K4G

Wolinella succinogenes L-asparaginase S121 + L-aspartic acid, open conformation

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	100
Detector technology	CCD
Collection date	2015-10-17
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97857
Spacegroup name	C 1 2 1
Unit cell lengths	146.097, 71.202, 142.600
Unit cell angles	90.00, 118.00, 90.00

Refinement procedure

Resolution	30.000 - 1.600
R-factor	0.1676
Rwork	0.166
R-free	0.20130
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1wsa
RMSD bond length	0.020
RMSD bond angle	1.895
Data reduction software	XDS
Data scaling software	XDS
Phasing software	MOLREP
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	29.425	1.700
High resolution limit [Å]	1.600	4.740	1.600
Rmerge	0.040	0.016	0.383
Number of reflections	166478
<I/σ(I)>	17.99	46.98	3.17
Completeness [%]	97.5	92.4	98.2
Redundancy	3.14
CC(1/2)	0.999

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	283	PEG2000, HEPES 7.5