1NNS

L-asparaginase of E. coli in C2 space group and 1.95 A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	LNLS BEAMLINE D03B-MX1
Synchrotron site	LNLS
Beamline	D03B-MX1
Temperature [K]	298
Detector technology	IMAGE PLATE
Detector	MARRESEARCH
Wavelength(s)	1.38
Spacegroup name	C 1 2 1
Unit cell lengths	76.296, 134.617, 64.867
Unit cell angles	90.00, 110.51, 90.00

Refinement procedure

Resolution	13.000 * - 1.950
R-factor	0.13176
Rwork	0.130
R-free	0.17400 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3eca
RMSD bond length	0.014 *
RMSD bond angle	0.032 *
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	REFMAC (5.1.09)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	13.000	2.000
High resolution limit [Å]	1.950	1.950
Rmerge	0.047	0.325
Total number of observations	63394 *
Number of reflections	40782
<I/σ(I)>		2.4
Completeness [%]	91.8	93.2 *
Redundancy	1.55

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	291	PEG 3350, MES, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 291K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	20 (mg/ml)
2	1	reservoir	MPD	30 (%)
3	1	reservoir	PEG3350	4 (%)
4	1	reservoir	MES	0.1 (M)	pH6