7Q78

Room temperature structure of RNase A at 72 MPa helium gas pressure in a sapphire capillary

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]	295
Detector technology	PIXEL
Collection date	2019-09-26
Detector	DECTRIS PILATUS3 X CdTe 2M
Wavelength(s)	0.477
Spacegroup name	P 32 2 1
Unit cell lengths	64.280, 64.280, 65.020
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	27.830 - 1.520
R-factor	0.1556
Rwork	0.153
R-free	0.18260
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2e3w
RMSD bond length	0.015
RMSD bond angle	1.293
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.13-2998_9999)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	27.830	1.574
High resolution limit [Å]	1.520	1.520
Rmerge	0.149	2.602
Rpim	0.052	0.917
Number of reflections	24342	2416
<I/σ(I)>	8.24	1.01
Completeness [%]	99.9	99.92
Redundancy	8.8
CC(1/2)	0.995	0.327

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.5	295	10-20 mg/ml protein dissolved in 0.1 M sodium acetate pH 4.5 was mixed in a 1:1 ratio with precipitant containing 0.1 M sodium acetate pH 4.5, 1.2-1.5 M ammonium sulphate and 2-2.5 M sodium chloride and equilibrated for one to two days at room-temperature.