4D1A

STRUCTURE OF MHP1, A NUCLEOBASE-CATION-SYMPORT-1 FAMILY TRANSPORTER, IN A CLOSED CONFORMATION WITH INDOLYLMETHYL-HYDANTOIN

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I02
Synchrotron site	Diamond
Beamline	I02
Temperature [K]	287
Detector technology	CCD
Collection date	2011-02-23
Detector	ADSC CCD
Spacegroup name	P 21 21 21
Unit cell lengths	87.430, 106.360, 100.550
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.534 - 3.400
R-factor	0.2494
Rwork	0.247
R-free	0.28260
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2jln
RMSD bond length	0.007
RMSD bond angle	1.202
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((PHENIX.REFINE))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	36.500	3.490
High resolution limit [Å]	3.400	3.400
Rmerge	0.050	0.880
Number of reflections	12215
<I/σ(I)>	13.2	1.2
Completeness [%]	92.0	87
Redundancy	4.1	3.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		7		PROTEIN WAS CRYSTALLIZED IN 27-33 % PEG 300, 0.1M NACL AND 0.1M NA-PHOSPHATE (PH 7.0). INDOLYLMETHYL-HYDANTOIN WAS ADDED TO THE DROP AS A SATURATED SOLUTION.