7Q79

Room temperature structure of RNase A at 100 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	64.400, 64.400, 64.750
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	28.000 - 1.550
R-factor	0.1582
Rwork	0.156
R-free	0.18780
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2e3w
RMSD bond length	0.010
RMSD bond angle	1.044
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]	28.000	1.610
High resolution limit [Å]	1.550	1.550
Rmerge	0.162	1.905
Rpim	0.064	0.783
Number of reflections	22676	2245
<I/σ(I)>	6.11	1.01
Completeness [%]	98.7	99.6
Redundancy	6.8	6.6
CC(1/2)	0.988	0.306

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.