6NLT

Apo structure of the T130K mutant of ANT-4

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-04-20
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.987
Spacegroup name	P 21 21 21
Unit cell lengths	57.251, 97.650, 101.080
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.390 - 1.900
R-factor	0.1769
Rwork	0.175
R-free	0.21530
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1kny
RMSD bond length	0.004
RMSD bond angle	0.710
Data reduction software	MOSFLM
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	PHENIX ((1.13_2998: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.390	1.968
High resolution limit [Å]	1.900	1.900
Rmerge	0.036	0.207
Rmeas	0.051	0.292
Rpim	0.036	0.207
Number of reflections	44973	4437
<I/σ(I)>	12.9	3.63
Completeness [%]	99.0	99.02
Redundancy	2	1.9
CC(1/2)	0.958	0.848

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		285	16-18% PEG 8K, 0.1 M Tris pH 7.5-8.0, 0.1-0.2 M MgCl2.