3RGO

Crystal Structure of PTPMT1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.1
Synchrotron site	ALS
Beamline	8.2.1
Temperature [K]	100
Detector technology	CCD
Collection date	2009-12-19
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0
Spacegroup name	P 43 21 2
Unit cell lengths	36.453, 36.453, 230.024
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.749 - 1.928
R-factor	0.2279
Rwork	0.227
R-free	0.24320
Structure solution method	MAD
RMSD bond length	0.004
RMSD bond angle	0.776
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHENIX
Refinement software	PHENIX (1.5_2)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.960
High resolution limit [Å]	1.928	5.240	1.928
Rmerge	0.051	0.028	0.705
Number of reflections	12762
<I/σ(I)>	12.1
Completeness [%]	99.9	98.6	100
Redundancy	12.7	10.8	13.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	277	PEG 5000 MME, Bis-Tris, (NH4)2SO4, pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K
1	VAPOR DIFFUSION, SITTING DROP	5.5	277	PEG 5000 MME, Bis-Tris, (NH4)2SO4, pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K
1	VAPOR DIFFUSION, SITTING DROP	5.5	277	PEG 5000 MME, Bis-Tris, (NH4)2SO4, pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K
1	VAPOR DIFFUSION, SITTING DROP	5.5	277	PEG 5000 MME, Bis-Tris, (NH4)2SO4, pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K