7Q76

Room temperature structure of RNase A at 22 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	64.420, 64.420, 65.190
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	25.650 - 1.480
R-factor	0.1516
Rwork	0.149
R-free	0.18000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2e3w
RMSD bond length	0.014
RMSD bond angle	1.290
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]	25.650	1.533
High resolution limit [Å]	1.480	1.480
Rmerge	0.140	2.128
Rpim	0.049	0.775
Number of reflections	26313	2593
<I/σ(I)>	7.44	0.99
Completeness [%]	99.2	98.67
Redundancy	8.4
CC(1/2)	0.991	0.304

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.