4ZYR

Crystal structure of E. coli Lactose permease G46W/G262W bound to p-nitrophenyl alpha-D-galactopyranoside (alpha-NPG)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.3.1
Synchrotron site	ALS
Beamline	8.3.1
Temperature [K]	100
Detector technology	CCD
Collection date	2015-04-17
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.116
Spacegroup name	C 2 2 21
Unit cell lengths	103.150, 121.990, 266.090
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.036 - 3.312
R-factor	0.2602
Rwork	0.259
R-free	0.27790
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4oaa
RMSD bond length	0.004
RMSD bond angle	0.853
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (dev_1700)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]			3.500
High resolution limit [Å]	3.300	30.000	3.300
Rmerge	0.148	0.013	4.060
Rmeas	0.167	0.017	3.939
Total number of observations	114039
Number of reflections	25009	11	3958
<I/σ(I)>	10.5	74.38	0.52
Completeness [%]	97.3	23.4	97.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	295	1.0 M NaCl 0.05 M Tris (pH8.0) 26% PEG 600