6LST

Crystal straucture of Uso1-1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 7A (6B, 6C1)
Synchrotron site	PAL/PLS
Beamline	7A (6B, 6C1)
Temperature [K]	100
Detector technology	CCD
Collection date	2019-05-08
Detector	ADSC QUANTUM 270
Wavelength(s)	1.0
Spacegroup name	P 31 2 1
Unit cell lengths	114.368, 114.368, 193.443
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	49.220 - 2.940
R-factor	0.1948
Rwork	0.192
R-free	0.25160
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2w3c
RMSD bond length	0.012
RMSD bond angle	1.972
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	REFMAC
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.990
High resolution limit [Å]	2.940	7.970	2.940
Rmerge	0.088	0.051	0.896
Rmeas	0.094	0.055	0.948
Rpim	0.031	0.019	0.304
Total number of observations	282039
Number of reflections	31647	1710	1518
<I/σ(I)>	13.7
Completeness [%]	98.7	96.9	97.9
Redundancy	8.9	8.8	8.8
CC(1/2)		0.997	0.890

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	0.1 M Tris-HCl pH 7.0, 0.2 M MgCl2, 2.5 M NaCl