2XLY

Structural and Mechanistic Analysis of the Magnesium-Independent Aromatic Prenyltransferase CloQ from the Clorobiocin Biosynthetic Pathway

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RUH3R
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2008-03-19
Detector	MAR scanner 345 mm plate
Spacegroup name	I 41 2 2
Unit cell lengths	135.570, 135.570, 95.700
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	23.240 - 3.100
R-factor	0.1815
Rwork	0.179
R-free	0.23586
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2xlq
RMSD bond length	0.015
RMSD bond angle	1.488
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	AMoRE
Refinement software	REFMAC (5.5.0091)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	23.240	3.270
High resolution limit [Å]	2.990	3.100
Rmerge	0.140	0.290
Number of reflections	8365
<I/σ(I)>	5.5	2.73
Completeness [%]	99.8	100
Redundancy	13.12	12.19

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6.5		VAPOR DIFFUSION. PROTEIN AT 10 MG PER ML WAS MIXED WITH AN EQUAL VOLUME OF 3 M SODIUM FORMATE, 2 MM DITHIOTHREITOL IN 100 MM HEPES BUFFER AT PH 6.5