4WBS

Crystal structure of an ABC transporter related protein from Burkholderia phymatum

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.1
Synchrotron site	ALS
Beamline	5.0.1
Temperature [K]	100
Detector technology	CCD
Collection date	2012-10-12
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97740
Spacegroup name	P 21 21 21
Unit cell lengths	54.070, 79.850, 121.140
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.771 - 2.000
R-factor	0.1862
Rwork	0.183
R-free	0.23730
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1z47
RMSD bond length	0.008
RMSD bond angle	1.116
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	BALBES
Refinement software	PHENIX ((phenix.refine: dev_1779))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000		2.050
High resolution limit [Å]	2.000	8.940	2.000
Rmerge	0.065	0.033	0.586
Rmeas	0.073	0.038	0.652
Total number of observations	180799
Number of reflections	36187	466	2655
<I/σ(I)>	16.05	38.27	3.15
Completeness [%]	99.7	95.5	100
Redundancy	5		5.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	290	JCSG-2, condition B5, optimized: 1M LiCl, 100mM Tris pH 8.5, 20% PEG 6000; cryo: 20% EDO; BuphA.00057.b.A1.PS01348 at 20mg/ml with 1mM ATP (invisible in electron density; tray 233360f3, puck wlt6-3