6U0C

Neutron crystal structure of wtT4LE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	298
Detector technology	IMAGE PLATE
Collection date	2017-08-01
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 32 2 1
Unit cell lengths	60.870, 60.870, 96.870
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	15.000 - 2.100
R-factor	0.2197
Rwork	0.218
R-free	0.24960
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5vnq
Data reduction software	Mantid
Data scaling software	LaueView
Phasing software	PHASER
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	45.000	2.210	2.070
High resolution limit [Å]	2.000	2.100	2.000
Rmerge	0.090	0.192	0.475
Number of reflections	14086	5964	1396
<I/σ(I)>	8.7	4.1	1.8
Completeness [%]	96.6
Redundancy	2.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	298	~2.0 M Na/K phosphate, pH 6-7, 250 mM NaCl
1	VAPOR DIFFUSION, SITTING DROP	7	298	~2.0 M Na/K phosphate, pH 6-7, 250 mM NaCl