8QJ6

Crystal structure of cytochrome domain 1 from PgcA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-07-26
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.9537
Spacegroup name	I 4
Unit cell lengths	68.427, 68.427, 27.681
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.210 - 1.550
R-factor	0.1568
Rwork	0.155
R-free	0.18910
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	0.997
Data reduction software	xia2
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	34.210	1.580
High resolution limit [Å]	1.550	1.550
Rmerge	0.070	0.512
Rmeas	0.073	0.543
Rpim	0.020	0.173
Total number of observations	118718	2980
Number of reflections	9230	345
<I/σ(I)>	21.9	3.8
Completeness [%]	97.4
Redundancy	12.9	8.6
CC(1/2)	0.998	0.915

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	289	0.3 uL protein at 10 mg per mL in 20 mM HEPES pH 7.8 100 mM NaCl, 0.28 uL Na Malonate pH 7.0 and 0.02 uL 30% W/V PEG 2000 MME