6U0F

Neutron crystal structure of T4L L99AE

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	61.100, 61.100, 97.000
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	13.795 - 2.000
R-factor	0.2199
Rwork	0.219
R-free	0.24060
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]	50.000	2.120	2.064
High resolution limit [Å]	2.050	2.050	2.000
Rmerge		0.056	0.225
Rpim			0.127
Number of reflections	13092	1262	1086
<I/σ(I)>	10.4	2.3	3.44
Completeness [%]	96.4	95.6	75.8
Redundancy	3.2		2.9
CC(1/2)			0.534

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