1PE9

MUTATIONS IN THE T1.5 LOOP OF PECTATE LYASE A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2003-04-16
Detector	MAR CCD 165 mm
Wavelength(s)	1.000
Spacegroup name	P 21 21 2
Unit cell lengths	101.797, 154.040, 51.129
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 * - 1.600
R-factor	0.198
Rwork	0.198
R-free	0.21320 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1jta
RMSD bond length	0.005
RMSD bond angle	1.400
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.660
High resolution limit [Å]	1.600	1.600
Rmerge	0.097 *	0.202 *
Total number of observations	564358 *
Number of reflections	100459
<I/σ(I)>	29.61	4.9
Completeness [%]	94.1	71.2
Redundancy	5.62

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	295 *	PEG 5000 Monomethyl Ether, 2-[N-Morpholino]Ethanesulfonic Acid, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG5000 MME	17.6-20 (%)
2	1	reservoir	MES	0.1 (M)	pH6.5
3	1	drop	protein	8.72 (mg/ml)
4	1	drop	PEG5000 MME	2.9-3.3 (%)
5	1	drop	MES	0.02 (M)	pH6.5