3LFG

Crystal structure of HPr-C-His from Thermoanaerobacter tengcongensis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE AR-NE3A
Synchrotron site	Photon Factory
Beamline	AR-NE3A
Temperature [K]	100
Detector technology	CCD
Collection date	2009-06-02
Detector	ADSC QUANTUM 270
Wavelength(s)	0.9798
Spacegroup name	P 21 21 21
Unit cell lengths	49.712, 68.841, 78.170
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.160 - 1.580
R-factor	0.1917
Rwork	0.191
R-free	0.21200
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.109
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	PHENIX ((phenix.refine))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.610
High resolution limit [Å]	1.580	1.580
Number of reflections	37192
Completeness [%]	99.1	91.4
Redundancy	7.6	4.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.6	293	30% PEG 4000, 0.1M NaAc pH 4.6, 0.2M ammonium acetate, VAPOR DIFFUSION, SITTING DROP, temperature 293K