4C82

IspF (Plasmodium falciparum) unliganded structure

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2010-10-12
Detector	RIGAKU RAXIS IV PLUS PLUS
Spacegroup name	H 3
Unit cell lengths	84.223, 84.223, 102.451
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.720 - 2.000
R-factor	0.19689
Rwork	0.194
R-free	0.22629
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4c81
RMSD bond length	0.019
RMSD bond angle	2.087
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.710	2.110
High resolution limit [Å]	2.000	2.000
Rmerge	0.090	0.480
Number of reflections	18068
<I/σ(I)>	5.3	2
Completeness [%]	98.6	97
Redundancy	2.3	2.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	293	PROTEIN WAS CRYSTALLISED BY HANGING-DROP VAPOUR DIFFUSION. PFISPF SAMPLE IN 100 MM KCL, 100 MM L-ARGININE, 2 MM MGCL2, 50 MM CHES, PH 9.5; WAS CONCENTRATED TO 6 MG/ML, AND HAD FOSMIDOMYCIN ADDED (20 MM FINAL CONCENTRATION). CRYSTALS WERE OBTAINED BY MIXING 2 MICROLITES OF PROTEIN WITH 2 MICROLITRES OF RESERVOIR SOLUTION AT 20 DEGREES C. RESERVOIR SOLUTION: 1.8-2.5 M (NH4)2SO4, 5MM ZNCL2, 100 MM BIS-TRIS, PH 5.5. SATURATED SUCROSE WAS USED AS A CRYO-PROTECTANT DURING COLLECTION.