1QJV

Pectin methylesterase PemA from Erwinia chrysanthemi

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE X11
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	X11
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1998-10-27
Detector	MARRESEARCH
Spacegroup name	P 1 21 1
Unit cell lengths	50.694, 85.507, 96.690
Unit cell angles	90.00, 93.69, 90.00

Refinement procedure

Resolution	20.000 - 2.370
R-factor	0.17
Rwork	0.170
R-free	0.21100 *
Structure solution method	MIR
RMSD bond length	0.007
RMSD bond angle	1.230 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS (0.5)
Refinement software	CNS (0.5)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.440
High resolution limit [Å]	2.400	2.400
Rmerge	0.064	0.224 *
Number of reflections	32934
<I/σ(I)>	13.43	3
Completeness [%]	99.1 *	82.6 *
Redundancy	4.04	3.04

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5		HANGING DROP AGAINST 2.0 M AMMONIUM SULFATE AND 0.1M MES BUFFER AT PH 6.8 THE PROTEIN CONCENTATION WAS ABOUT 3 MG./ML.

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	ammonium sulfate	1.6 (M)
2	1	drop	MES	0.1 (M)
3	1	reservoir	ammonium sulfate	2.0 (M)
4	1	reservoir	MES	0.1 (M)