3HF7

The Crystal Structure of a CBS-domain Pair with Bound AMP from Klebsiella pneumoniae to 2.75A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2006-05-01
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9794
Spacegroup name	H 3 2
Unit cell lengths	101.395, 101.395, 107.745
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	50.000 - 2.750
R-factor	0.225
Rwork	0.222
R-free	0.27800
RMSD bond length	0.010
RMSD bond angle	1.406
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	HKL-3000
Refinement software	REFMAC (refmac_5.5.0054)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.380
High resolution limit [Å]	2.300	4.950	2.300
Rmerge	0.092	0.076	0.660
Number of reflections	9474
<I/σ(I)>	7.7
Completeness [%]	98.1	99.1	100
Redundancy	5.5	4.9	5.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7	298	1.8 Magnesium sulfate, 0.1M Bis-tris propane, pH 7.0, vapor diffusion, temperature 298K