4C81

IspF (Plasmodium falciparum) CDP complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	CCD
Collection date	2009-05-14
Detector	ADSC QUANTUM 315r
Spacegroup name	H 3
Unit cell lengths	84.864, 84.864, 101.031
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	26.380 - 1.560
R-factor	0.14506
Rwork	0.144
R-free	0.16503
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1gx1
RMSD bond length	0.005
RMSD bond angle	0.967
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC (5.5.0094)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	41.630	1.690
High resolution limit [Å]	1.600	1.600
Rmerge	0.090	0.420
Number of reflections	35607
<I/σ(I)>	11.1	2.6
Completeness [%]	99.4	99.3
Redundancy	5.1	3.3

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 CDP DISODIUM SALT ADDED (2 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.