5CAI

Crystal structure of a putative lipoprotein from the DUF903 family (KPN_03160) from Klebsiella pneumoniae subsp. pneumoniae MGH 78578 at 2.30 A resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL14-1
Synchrotron site	SSRL
Beamline	BL14-1
Temperature [K]	100
Detector technology	CCD
Collection date	2015-04-12
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.95369,0.97934,0.97919
Spacegroup name	I 41 2 2
Unit cell lengths	108.210, 108.210, 142.190
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.709 - 2.300
R-factor	0.1824
Rwork	0.181
R-free	0.21520
Structure solution method	MAD
RMSD bond length	0.010
RMSD bond angle	1.100
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.20)
Phasing software	SHELX
Refinement software	BUSTER (2.10.2)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.709	29.709	2.360
High resolution limit [Å]	2.300	10.290	2.300
Rmerge		0.041	0.901
Rmeas	0.163	0.046	0.968
Rpim	0.060	0.019	0.353
Total number of observations	139561	1496	10319
Number of reflections	19120
<I/σ(I)>	10.3	24.2	2.3
Completeness [%]	99.9	95.9	99.9
Redundancy	7.3	6	7.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	0.2M di-ammonium tartrate, 20.0% polyethylene glycol 3350, 0.2M di-ammonium tartrate, 20.0% polyethylene glycol 3350