3RJV

Crystal structure of a putative sel1 repeat protein (kpn_04481) from Klebsiella pneumoniae subsp. pneumoniae at 1.65 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	2011-03-23
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.96109,0.97932,0.97915
Spacegroup name	P 31 2 1
Unit cell lengths	81.508, 81.508, 83.343
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.136 - 1.650
R-factor	0.1717
Rwork	0.171
R-free	0.19360
Structure solution method	MAD
RMSD bond length	0.015
RMSD bond angle	1.436
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.15)
Phasing software	SHELX
Refinement software	REFMAC (5.5.0110)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.136	29.136	1.690
High resolution limit [Å]	1.650	7.380	1.650
Rmerge		0.042	0.782
Total number of observations		2214	17523
Number of reflections	38945
<I/σ(I)>	10.9	16.3	1
Completeness [%]	99.9	92.9	100
Redundancy	6.1	4.8	6.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	10.00% Glycerol, 1.2600M tri-Sodium Citrate, 0.1M HEPES pH 7.5, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 293K