9S39

Serial crystallography structure of a photosynthetic reaction center using a goniometer-compatible 96-well chip-based platform

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	293
Detector technology	PIXEL
Collection date	2024-04-13
Detector	PSI JUNGFRAU 4M
Wavelength(s)	1.072
Spacegroup name	P 43 21 2
Unit cell lengths	226.500, 226.500, 113.900
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	60.000 - 3.300
Rwork	0.246
R-free	0.29630
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.014
RMSD bond angle	2.285
Data reduction software	CrystFEL
Data scaling software	CrystFEL
Phasing software	REFMAC
Refinement software	REFMAC (5.8.0430 (refmacat 0.4.100))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	113.000	3.400
High resolution limit [Å]	3.300	3.300
Number of reflections	72801	8265
<I/σ(I)>	6.6
Completeness [%]	100.0	100
Redundancy	20	6.6
CC(1/2)	0.990	0.430

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277.15	heptane-triol, KPi, Ammonium Sulphate