3RP8

Crystal Structure of Klebsiella pneumoniae R204Q 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	2010-06-26
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97918
Spacegroup name	P 21 21 21
Unit cell lengths	67.031, 68.769, 81.584
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.001 - 1.968
R-factor	0.1923
Rwork	0.190
R-free	0.22890
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.007
RMSD bond angle	1.082
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	REFMAC
Refinement software	PHENIX (1.7_650)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.000
High resolution limit [Å]	1.968	5.350	1.968
Rmerge	0.048	0.022	0.372
Number of reflections	27220
<I/σ(I)>	14.4
Completeness [%]	99.4	96	99.8
Redundancy	4.4	4.2	4.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	hanging drop	6.5	291	0.2 M magnesium acetate, 0.1 M sodium cacodylate trihydrate, 20% PEG 8000, pH 6.5, hanging drop, temperature 291K