5I4B

Erwinia chrysanthemi L-asparaginase E63Q +S254N mutation + L-Aspartic acid

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-D
Synchrotron site	APS
Beamline	21-ID-D
Temperature [K]	100
Detector technology	CCD
Collection date	2015-10-17
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.008264
Spacegroup name	I 2 2 2
Unit cell lengths	76.977, 123.124, 198.439
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 1.600
R-factor	0.1557
Rwork	0.154
R-free	0.18280
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1o7j
RMSD bond length	0.019
RMSD bond angle	1.920
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]	104.620	29.502	1.690
High resolution limit [Å]	1.600	4.730	1.600
Rmerge	0.091	0.036	0.557
Number of reflections	122786
<I/σ(I)>	14.71	36.68	3.36
Completeness [%]	98.2	96.3	95.7
Redundancy	5.56
CC(1/2)	0.997

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