3H8U

Crystal structure of uncharacterized conserved protein with double-stranded beta-helix domain (YP_001338853.1) from Klebsiella pneumoniae subsp. pneumoniae MGH 78578 at 1.80 A resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	100
Detector technology	CCD
Collection date	2008-10-12
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.94645,0.97965
Spacegroup name	P 32
Unit cell lengths	46.850, 46.850, 94.940
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	24.953 - 1.800
R-factor	0.154
Rwork	0.152
R-free	0.19600
Structure solution method	MAD
RMSD bond length	0.015
RMSD bond angle	1.509
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELX
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	24.953	24.953	1.860
High resolution limit [Å]	1.800	3.870	1.800
Rmerge	0.065	0.033	0.491
Number of reflections	21525	4311	3759
<I/σ(I)>	7.1	17.3	1.44
Completeness [%]	96.6	98.1	92.7
Redundancy	2.86

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	277	1.7000M (NH4)2SO4, 15.0000% Glycerol, 1.7000% PEG-400, 0.1M HEPES pH 7.5, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K