3VVS

Crystal structure of MATE in complex with MaD3S

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL32XU
Synchrotron site	SPring-8
Beamline	BL32XU
Temperature [K]	100
Detector technology	CCD
Collection date	2011-01-27
Detector	RAYONIX MX225HE
Wavelength(s)	0.979
Spacegroup name	C 1 2 1
Unit cell lengths	155.091, 59.970, 68.525
Unit cell angles	90.00, 91.84, 90.00

Refinement procedure

Resolution	43.076 - 2.600
R-factor	0.2158
Rwork	0.213
R-free	0.24390
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3vvn
RMSD bond length	0.002
RMSD bond angle	0.648
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (1.7.2_869)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.540
High resolution limit [Å]	2.500	6.780	2.500
Rmerge	0.142	0.050	0.727
Number of reflections	21796
<I/σ(I)>	5.3
Completeness [%]	99.2	99.6	99.9
Redundancy	7.6	7.3	7.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	lipdic cubic phase	7	293	30% PEG 400, 100mM HEPES-NaOH, 100mM NaSCN, pH 7.0, lipdic cubic phase, temperature 293K