4XVV

Crystal structure of an Acid stress chaperone HdeB (KPN_03484) from Klebsiella pneumoniae subsp. pneumoniae MGH 78578 at 1.70 A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.2
Synchrotron site	ALS
Beamline	8.2.2
Temperature [K]	100
Detector technology	CCD
Collection date	2014-10-04
Detector	ADSC QUANTUM 315
Wavelength(s)	0.979559
Spacegroup name	P 21 21 21
Unit cell lengths	36.475, 39.443, 98.256
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.286 - 1.700
R-factor	0.198
Rwork	0.197
R-free	0.22610
Structure solution method	SAD
RMSD bond length	0.008
RMSD bond angle	1.377
Data scaling software	XSCALE (January 10, 2014 BUILT=20140307)
Phasing software	SOLVE
Refinement software	REFMAC (5.7.0032)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.286		1.760
High resolution limit [Å]	1.700	3.660	1.700
Rmerge	0.052	0.029	0.708
Rmeas	0.069	0.039	0.948
Total number of observations	61343
Number of reflections	15930	2814	2797
<I/σ(I)>	9.32	22.1	1.6
Completeness [%]	95.4	92.8	94.4
Redundancy	3.62

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.6	277	0.2M ammonium sulfate, 30.0% polyethylene glycol monomethyl ether 2000, 0.1M sodium acetate pH 4.6