4LPV

Crystal structure of TENCON variant P41BR3-42

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	95
Detector technology	CCD
Collection date	2009-11-09
Detector	RIGAKU SATURN 944
Wavelength(s)	1.5418
Spacegroup name	H 3
Unit cell lengths	106.460, 106.460, 115.330
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	31.100 - 1.800
R-factor	0.1638
Rwork	0.164
R-free	0.19190
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3tes
RMSD bond length	0.007
RMSD bond angle	1.178
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: dev_896))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.000	1.850
High resolution limit [Å]	1.800	1.800
Rmerge	0.043	0.369
Number of reflections	42629
Completeness [%]	94.8	62.8
Redundancy	4.9	2.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	0.1 M Tris, pH 8.5, 1.35 M ammonium sulfate, 5% PEG400, VAPOR DIFFUSION, SITTING DROP, temperature 293K