3RP6

Crystal Structure of Klebsiella pneumoniae HpxO complexed with FAD

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	CCD
Collection date	2009-03-18
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9792
Spacegroup name	P 21 21 21
Unit cell lengths	66.650, 67.646, 82.011
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.925 - 2.200
R-factor	0.2086
Rwork	0.206
R-free	0.25440
Structure solution method	SAD
RMSD bond length	0.007
RMSD bond angle	1.029
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	SHARP
Refinement software	PHENIX (1.7_650)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.280
High resolution limit [Å]	2.200	4.740	2.200
Rmerge	0.100	0.084	0.274
Number of reflections	19184
<I/σ(I)>	10.5
Completeness [%]	98.4	98.9	93.8
Redundancy	8.2	8.1	6.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	hanging drop		291	0.05 M KH2PO4, 20% PEG 8000, hanging drop, temperature 291K