3HZZ

2.4 Angstrom Crystal Structure of Streptomyces collinus crotonyl CoA carboxylase/reductase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2008-07-13
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	79.668, 134.380, 195.134
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	17.970 - 2.400
R-factor	0.20733
Rwork	0.206
R-free	0.25712
Structure solution method	MIR
RMSD bond length	0.007
RMSD bond angle	1.079
Data reduction software	d*TREK
Data scaling software	d*TREK
Phasing software	SOLVE
Refinement software	REFMAC (5.5.0088)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	17.970	2.490
High resolution limit [Å]	2.400	2.400
Rmerge	0.119	0.344
Number of reflections	78199
<I/σ(I)>	15.3	7.4
Completeness [%]	94.7	92.5
Redundancy	11.26	11.08

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	vapor diffusion with microseeding	6.2	293	0.1M MES, 2.0M Ammonium Sulfate, 3% PEG 200, pH 6.2, vapor diffusion with microseeding, temperature 293K