4JCL

Crystal structure of Alpha-CGT from Paenibacillus macerans at 1.7 Angstrom resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-17A
Synchrotron site	Photon Factory
Beamline	BL-17A
Temperature [K]	100
Detector technology	CCD
Collection date	2009-12-05
Detector	ADSC QUANTUM 270
Wavelength(s)	0.978
Spacegroup name	P 21 21 21
Unit cell lengths	65.871, 78.559, 136.820
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.450 - 1.700
R-factor	0.166
Rwork	0.164
R-free	0.20700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1cgt
RMSD bond length	0.006
RMSD bond angle	1.014
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.760
High resolution limit [Å]	1.700	1.700
Rmerge	0.092
Number of reflections	72308
<I/σ(I)>	18.25
Completeness [%]	91.7	91.1
Redundancy	8.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	293	30% PEG 8000, 0.1M IMIDAZOLE, 0.1M CALCIUM CLORIDE, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K