5MMT

Inward open PepTSt from Streptococcus thermophilus crystallized in space group P3121

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	CCD
Collection date	2012-07-05
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9795
Spacegroup name	P 31 2 1
Unit cell lengths	80.190, 80.190, 293.690
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	44.850 - 3.400
R-factor	0.2662
Rwork	0.265
R-free	0.28610
Structure solution method	MAD
RMSD bond length	0.005
RMSD bond angle	1.188
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHARP
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.850	3.490
High resolution limit [Å]	3.400	3.400
Rmerge	0.090	0.680
Number of reflections	11881
<I/σ(I)>	13.67	3.13
Completeness [%]	74.6	5.8
Redundancy	5.3	0.5
CC(1/2)	0.999	0.834

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	277	0.05 M HEPES pH 8.0, 30% PEG550 MME, 1.2% Fos-Choline 10