4G78

Subatomic Resolution Crystal Structure of Histidine-containing Phosphotransfer Protein MtHPt2 from Medicago truncatula

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.2
Synchrotron site	BESSY
Beamline	14.2
Temperature [K]	100
Detector technology	CCD
Collection date	2012-03-17
Detector	MARMOSAIC 225 mm CCD
Spacegroup name	P 1 21 1
Unit cell lengths	25.240, 50.150, 50.380
Unit cell angles	90.00, 97.44, 90.00

Refinement procedure

Resolution	50.000 - 0.920
R-factor	0.121
Rwork	0.121
R-free	0.15500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3us6
RMSD bond length	0.023
RMSD bond angle	0.040
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	SHELX

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	0.940
High resolution limit [Å]	0.920	0.920
Rmerge	0.036	0.738
Number of reflections	84634
<I/σ(I)>	21.78	1.89
Completeness [%]	97.8	75.1
Redundancy	6.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		6.5	292	0.09M Halogens, 0.1M buffer system 1, 30% PEG 550MME + PEG 20K (Molecular Dimensions Morpheus Screen B1), pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 292K