1LML

LEISHMANOLYSIN

Experimental procedure

Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE X31
Synchrotron site	EMBL/DESY, Hamburg
Beamline	X31
Temperature [K]	278
Detector technology	IMAGE PLATE
Collection date	1994-09-24
Detector	MARRESEARCH
Spacegroup name	C 1 2 1
Unit cell lengths	106.325, 90.144, 70.145
Unit cell angles	90.00, 110.54, 90.00

Refinement procedure

Resolution	5.000 - 1.860
R-factor	0.195 *
Rwork	0.191
R-free	0.21000 *
Structure solution method	MIR, MOLECULAR REPLACEMENT USING TWO CRYSTAL FORMS
RMSD bond length	0.004
RMSD bond angle	1.120 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	X-PLOR (3.851)
Refinement software	X-PLOR (3.851)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	1.940
High resolution limit [Å]	1.860	1.860
Rmerge	0.058	0.214
Number of reflections	51879
<I/σ(I)>	6.1	3.2
Completeness [%]	99.5 *	99.3
Redundancy	5.9 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	5.6 *	22 *	52% MPD (2-METHYL-2,4-PENTANEDIOL) 0.1M ETHANOLAMINE-HCL PH 9.5 0.02% NA-AZIDE VAPOR DIFFUSION HANGING DROP METHOD WITH MACROSEEDING, vapor diffusion - hanging drop -macroseeding

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10-20 (mg/ml)
2	1	reservoir	ammonium sulfate	48-50 (%sat)
3	1	reservoir	sodium acetate	0.1 (M)