1LF4

STRUCTURE OF PLASMEPSIN II

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X9B
Synchrotron site	NSLS
Beamline	X9B
Temperature [K]	90
Detector technology	IMAGE PLATE
Collection date	1998-11-15
Detector	MAR scanner 345 mm plate
Wavelength(s)	0.9200
Spacegroup name	P 1 2 1
Unit cell lengths	52.659, 39.567, 90.532
Unit cell angles	90.00, 105.54, 90.00

Refinement procedure

Resolution	20.000 * - 1.900
R-factor	0.217
Rwork	0.217
R-free	0.22800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1sme
RMSD bond length	0.090 *
RMSD bond angle	2.100 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (0.9)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000 *	1.800
High resolution limit [Å]	1.900 *	1.900 *
Rmerge	0.042	0.333
Number of reflections	28457
<I/σ(I)>	13	1.3
Completeness [%]	99.0 *	98.1 *
Redundancy	7.0 *	3.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7 *	20 *	VAPOR DIFFUSION, HANGING DROP

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	5 (mg/ml)
2	1	drop	Tris-HCl	10 (mM)	pH7.0
3	1	drop	inhibitor	7 (mM)
4	1	drop	DMSO	10 (%(v/v))
5	1	reservoir	sodium citrate	0.1 (M)	pH5.6
6	1	reservoir	PEG4000	20 (%(w/v))
7	1	reservoir	butanol	10 (%(v/v))