6SQQ

Structure of the U1A variant A1-98 Y31H/Q36R/F56W triple mutant in complex with RNA obtained by soaking

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	2019-04-01
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.03320
Spacegroup name	P 65 2 2
Unit cell lengths	96.080, 96.080, 258.010
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	51.031 - 2.370
Rwork	0.245
R-free	0.29410
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1urn
RMSD bond length	0.009
RMSD bond angle	1.592
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]	51.600	2.410
High resolution limit [Å]	2.370	2.370
Rmerge	0.290	2.601
Rmeas	0.293	2.633
Number of reflections	29657	1460
<I/σ(I)>	12.4	1.4
Completeness [%]	100.0	99.9
Redundancy	38.2	40.2
CC(1/2)	0.998	0.753

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