6U0B

Neutron crystal structure of wtT4LD

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, 97.000
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	14.457 - 2.101
R-factor	0.2204
Rwork	0.219
R-free	0.25100
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]	35.000	2.180	2.020
High resolution limit [Å]	1.950	2.100	1.950
Rmerge	0.109	0.274	0.462
Number of reflections	15677	846	1535
<I/σ(I)>	16.7	2.68	4.7
Completeness [%]	99.9
Redundancy	5.8

Crystallization Conditions

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