2Z0R

Crystal structure of hypothetical protein TTHA0547

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL44B2
Synchrotron site	SPring-8
Beamline	BL44B2
Temperature [K]	100
Detector technology	CCD
Collection date	2006-09-26
Detector	ADSC QUANTUM 210
Wavelength(s)	0.97906, 0.97943, 0.964
Spacegroup name	P 1 21 1
Unit cell lengths	67.501, 94.297, 101.734
Unit cell angles	90.00, 96.77, 90.00

Refinement procedure

Resolution	42.840 - 2.300
R-factor	0.229
Rwork	0.229
R-free	0.27800
Structure solution method	MAD
RMSD bond length	0.006
RMSD bond angle	1.300
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SOLVE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.840	2.380
High resolution limit [Å]	2.300	2.300
Number of reflections	56109
<I/σ(I)>	15.8
Completeness [%]	99.7	97.6
Redundancy	5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293	1.45M Ammonium sulfate, HEPES, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K