5I48

Erwinia chrysanthemi L-asparaginase A31I + E63Q mutation + Aspartic acid

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2015-06-30
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.97872
Spacegroup name	P 21 21 21
Unit cell lengths	77.188, 87.691, 175.108
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	87.550 - 1.500
R-factor	0.1227
Rwork	0.120
R-free	0.17060
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1o7j
RMSD bond length	0.023
RMSD bond angle	1.961
Data reduction software	XDS
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0107)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	88.000	28.970	1.590
High resolution limit [Å]	1.500	4.440	1.500
Rmerge	0.051	0.024	0.546
Number of reflections	183230
<I/σ(I)>	23.09	59.36	3.07
Completeness [%]	95.7	97	76.2
Redundancy	6.97
CC(1/2)	0.999

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	285	0.1M HEPES, pH 7.5 and 24% of PEG MME 2000