4E8Y

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 1 2 1
Unit cell lengths	62.563, 69.200, 92.518
Unit cell angles	90.00, 104.18, 90.00

Refinement procedure

Resolution	45.350 - 2.600
R-factor	0.1925
Rwork	0.190
R-free	0.23710
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4e84
RMSD bond length	0.010
RMSD bond angle	0.856
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]	45.350	2.640
High resolution limit [Å]	2.590	2.590
Number of reflections	20632
Completeness [%]	85.9	85.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	277	0.1M HEPES, 20% PEG 10000, 8% ethylene glycol, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277.0K