4ONY

Crystal structure of a ABC transporter, periplasmic substrate-binding protein from Brucella melitensis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	100
Detector technology	CCD
Collection date	2013-10-17
Detector	RAYONIX MX-300
Wavelength(s)	0.97856
Spacegroup name	P 21 21 21
Unit cell lengths	64.560, 124.320, 172.190
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.100
R-factor	0.15717
Rwork	0.155
R-free	0.19603
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3pam modified with CCP4 program chainsaw
RMSD bond length	0.013
RMSD bond angle	1.514
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER (2.5.5)
Refinement software	REFMAC (5.8.0071)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.150
High resolution limit [Å]	2.100	9.390	2.100
Rmerge	0.095	0.023	0.434
Number of reflections	81188
<I/σ(I)>	15.02	46.46	3.15
Completeness [%]	99.3	91.7	99.8
Redundancy	4.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	290	RigakuReagents JCSG+ screen, H3: 25% PEG 3350, 100mM BisTris, pH 5.5; cryo 20% EG; BrmeB.17356.a.B2.PS01888 at 17.1mg/ml, tray 248209h3, puck xtp3-5, VAPOR DIFFUSION, SITTING DROP, temperature 290K