4C8G

IspF (Burkholderia cenocepacia) CMP complex

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	2011-10-06
Detector	RIGAKU RAXIS IV PLUS PLUS
Spacegroup name	C 1 2 1
Unit cell lengths	97.230, 88.552, 72.392
Unit cell angles	90.00, 103.87, 90.00

Refinement procedure

Resolution	29.650 - 2.000
R-factor	0.23882
Rwork	0.237
R-free	0.27917
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4c8e
RMSD bond length	0.020
RMSD bond angle	2.198
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]	29.840	2.100
High resolution limit [Å]	2.000	2.000
Rmerge	0.110	0.320
Number of reflections	38409
<I/σ(I)>	5.9	2.7
Completeness [%]	96.0	95.4
Redundancy	2.6	2.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5	293	HANGING DROP VAPOUR DIFFUSION. BCISPF SAMPLE: 10MG/ML IN 100 MM NACL, 2 MM MGCL2, 100 MM SODIUM FORMATE, PH 5.0, 2 MM CMP. RESERVOIR: 5% W/V PEG 1000, 33% V/V ETHANOL, 0.1 M NA2HPO4, PH 4.0, 2% V/V DIOXANE. 2 MICROLITERS SAMPLE WERE MIXED WITH 4 MICROLITRES RESERVOIR AT 20 DEGREES C.