7Q7N

Room temperature structure of the Rhodobacter Sphaeroides Photosynthetic Reaction Center F(M197)H mutant at 120 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	2019-10-06
Detector	DECTRIS PILATUS3 X CdTe 2M
Wavelength(s)	0.477
Spacegroup name	P 42 21 2
Unit cell lengths	102.130, 102.130, 237.610
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.910 - 2.870
R-factor	0.1908
Rwork	0.189
R-free	0.22770
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3v3y
RMSD bond length	0.002
RMSD bond angle	0.547
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	PHENIX (1.13-2998_9999)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.910	2.973
High resolution limit [Å]	2.870	2.870
Rmerge	0.480	2.012
Rmeas	0.517	2.163
Rpim	0.186	0.771
Number of reflections	28804	2803
<I/σ(I)>	3.39	0.98
Completeness [%]	97.0	96.07
Redundancy	6.6	6.8
CC(1/2)	0.935	0.367

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH MODE		289	20-25 mg/ml protein solution was mixed 1:1 with lipid sponge phase. The mixture was filled into a sealed plastic tip covered with an excess amount of 1 M trisodium citrate and incubated in the dark at 289 K for 1 week.