4HWM

Crystal structure of a lipoprotein YedD (KPN_02420) from Klebsiella pneumoniae subsp. pneumoniae MGH 78578 at 1.38 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	2012-09-19
Detector	ADSC QUANTUM 315
Spacegroup name	P 21 21 21
Unit cell lengths	39.810, 51.067, 52.436
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.810 - 1.380
R-factor	0.1509
Rwork	0.149
R-free	0.17950
Structure solution method	SAD
RMSD bond length	0.013
RMSD bond angle	1.567
Data reduction software	XDS
Data scaling software	XSCALE (March 15, 2012)
Phasing software	SHELX
Refinement software	REFMAC (5.5.0110)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	39.810	39.810	1.430
High resolution limit [Å]	1.380	2.970	1.380
Rmerge	0.045	0.027	0.841
Number of reflections	22613	4258	4254
<I/σ(I)>	15.44	40.7	1.5
Completeness [%]	99.8	99.3	99.6
Redundancy	7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	9.5	293	30.00% polyethylene glycol 3000, 0.1M CHES pH 9.5, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 293K