9NAA

Unusual structure of a bacteriophytochrome fragment derived from full length SaBphP2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	110
Detector technology	PIXEL
Collection date	2023-08-02
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.873
Spacegroup name	P 21 21 21
Unit cell lengths	60.760, 101.140, 103.440
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.870 - 2.100
R-factor	0.229
Rwork	0.227
R-free	0.26020
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.136
Data reduction software	iMOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.21_5207)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.870	2.130
High resolution limit [Å]	2.100	2.100
Rmerge	0.089	1.110
Number of reflections	35675	2963
<I/σ(I)>	5	1
Completeness [%]	99.4	97.6
Redundancy	5	5
CC(1/2)	0.994	0.620

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH		293	0.1 M TAPS, 0.1 M Mg(NO3)2, 24% PEG 20000, pH 9