1TTZ

X-ray structure of Northeast Structural Genomics target protein XcR50 from X. campestris

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X4A
Synchrotron site	NSLS
Beamline	X4A
Temperature [K]	100
Detector technology	CCD
Collection date	2004-06-07
Detector	ADSC QUANTUM 4
Wavelength(s)	0.97896
Spacegroup name	P 65
Unit cell lengths	61.690, 61.690, 39.043
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	26.710 - 2.110
R-factor	0.191
Rwork	0.189
R-free	0.21200
Structure solution method	MIRAS
RMSD bond length	0.006
RMSD bond angle	1.300
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.860
High resolution limit [Å]	1.800	1.800
Number of reflections	12147
<I/σ(I)>	23.98	3.3
Completeness [%]	79.8	31.6
Redundancy	3.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	0.1M Hepes, 0.1M NaCl, 1.6M (NH4)2SO4, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	0.1M Hepes, 0.1M NaCl, 1.6M (NH4)2SO4, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K