3NXS

Crystal structure of LAO/AO transport system from Mycobacterium smegmatis bound to GDP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	CCD
Collection date	2010-06-25
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0
Spacegroup name	P 21 21 2
Unit cell lengths	78.630, 91.460, 57.470
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.300
R-factor	0.2098
Rwork	0.209
R-free	0.23120
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3md0
RMSD bond length	0.015
RMSD bond angle	1.501
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER (2.1.4)
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000		2.360
High resolution limit [Å]	2.300	10.290	2.300
Rmerge	0.054	0.021	0.489
Number of reflections	18658	217	1325
<I/σ(I)>	22.87	49.3	4.3
Completeness [%]	98.2	83.5	97.9
Redundancy	8.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	9	289	JCSG+ condition F6, 0.1% Bicine pH 9.0, 10% MPD as crystallant, 28.66 mg/mL protein, crystal tracking ID 215415f6, VAPOR DIFFUSION, SITTING DROP, temperature 289K