6LYX

Crystal structure of oxidized ACHT1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	LIQUID ANODE
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	CCD
Collection date	2016-04-02
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9792
Spacegroup name	C 2 2 21
Unit cell lengths	100.611, 102.537, 92.657
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.930 - 1.696
R-factor	0.1741
Rwork	0.173
R-free	0.18870
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3zzx
RMSD bond length	0.007
RMSD bond angle	1.025
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.8.1_1168)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.760
High resolution limit [Å]	1.690	3.660	1.700
Rmerge	0.085	0.062	0.690
Rmeas	0.092	0.068	0.763
Rpim	0.036	0.027	0.320
Number of reflections	52914	5515	5204
<I/σ(I)>	8.9
Completeness [%]	99.9	99.7	99.6
Redundancy	7	6.5	5.5
CC(1/2)		0.995	0.846

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	277	ammonium sulfate, isopropanol,agarose