3US6

Crystal Structure of Histidine-containing Phosphotransfer Protein MtHPt1 from Medicago truncatula

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-BM
Synchrotron site	APS
Beamline	22-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2011-02-25
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.0000
Spacegroup name	P 21 21 21
Unit cell lengths	38.554, 44.899, 85.905
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	31.037 - 1.446
R-factor	0.1684
Rwork	0.168
R-free	0.19020
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1yvi
RMSD bond length	0.019
RMSD bond angle	1.618
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER (2.3.0)
Refinement software	PHENIX (1.7.1_743)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.530
High resolution limit [Å]	1.446	4.320	1.446
Rmerge	0.053	0.029	0.426
Number of reflections	25816
<I/σ(I)>	14.05	31.9	2.02
Completeness [%]	94.3	94	73.7
Redundancy	3.81

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	291	0.1M BIS-TRIS, 25% PEG 3350, 0.2M AMMONIUM ACETATE, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K