4E8W

Crystal Structure of Burkholderia cenocepacia HldA in Complex with an ATP-competitive Inhibitor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X25
Synchrotron site	NSLS
Beamline	X25
Temperature [K]	100
Detector technology	CCD
Collection date	2010-10-06
Detector	ADSC QUANTUM 315
Wavelength(s)	1.1
Spacegroup name	P 41 2 2
Unit cell lengths	69.579, 69.579, 336.445
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.200 - 2.865
R-factor	0.2205
Rwork	0.219
R-free	0.25820
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4e84
RMSD bond length	0.008
RMSD bond angle	0.875
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.7.3_928))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.200	2.900
High resolution limit [Å]	2.850	2.850
Number of reflections	18187
Completeness [%]	90.5	93.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	277	0.1M HEPES, 2% PEG 400, 2.0M ammonium sulfate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277.0K