6SQT

Structure of the U1A variant A1-98 Y31H/Q36R/F56W triple mutant

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 32 2 1
Unit cell lengths	89.810, 89.810, 86.560
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	38.890 - 1.840
Rwork	0.213
R-free	0.24460
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.619
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]	38.890	1.870
High resolution limit [Å]	1.840	1.840
Rmerge	0.054	0.871
Rmeas	0.056	1.189
Number of reflections	29093	238
<I/σ(I)>	25.4	0.7
Completeness [%]	82.1	13.4
Redundancy	13.9
CC(1/2)	1.000	0.276

Crystallization Conditions

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