6SR7

Structure of the U1A variant A1-98 Y31H/Q36R/K98W

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, DESY BEAMLINE P11
Synchrotron site	PETRA III, DESY
Beamline	P11
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-12-17
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.03320
Spacegroup name	P 43 21 2
Unit cell lengths	76.258, 76.258, 151.481
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	68.110 - 1.860
Rwork	0.221
R-free	0.25600
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.561
Data reduction software	xia2
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0253)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	68.110	1.890
High resolution limit [Å]	1.860	1.860
Rmerge	0.142	0.923
Rmeas	0.145	0.956
Number of reflections	38415	1842
<I/σ(I)>	14.8	2.4
Completeness [%]	100.0	99.6
Redundancy	24.1
CC(1/2)	0.999	0.540

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293	2.2 M ammonium sulfate, 0.2 M tri-potassium citrate