1JYM

Crystals of Peptide Deformylase from Plasmodium falciparum with Ten Subunits per Asymmetric Unit Reveal Critical Characteristics of the Active Site for Drug Design

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	CCD
Collection date	2001-05-05
Detector	ADSC QUANTUM 4
Wavelength(s)	0.97918, 0.97938, 0.96396
Spacegroup name	P 41
Unit cell lengths	121.263, 121.263, 177.272
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 2.800
R-factor	0.2339
Rwork	0.231
R-free	0.29599
Structure solution method	MAD
Starting model (for MR)	1dff
RMSD bond length	0.010 *
RMSD bond angle	1.700 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	REFMAC (5.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.900
High resolution limit [Å]	2.800	2.800
Rmerge	0.101 *	0.594 *
Number of reflections	62948 *
Completeness [%]	99.6	97.1
Redundancy	4.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5 *	298	Tris, Sodium chloride, Magnesium chloride, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 298K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	cacodylate	10 (mM)	pH6.5
2	1	drop		0.1 (M)
3	1	drop	protein	20 (mg/ml)
4	1	reservoir	Tris	0.1 (M)
5	1	reservoir		2.5 (M)
6	1	reservoir		0.2 (M)	pH7.0