9RK9

Fervidolysin B (FerB) from Fervidobacterium pennivorans

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	80
Detector technology	PIXEL
Collection date	2024-02-03
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.9537
Spacegroup name	P 21 21 21
Unit cell lengths	53.574, 71.829, 141.070
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	64.010 - 1.490
R-factor	0.17409
Rwork	0.174
R-free	0.19491
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.714
Data reduction software	DIALS
Data scaling software	DIALS
Phasing software	PHASER
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	64.010	1.520
High resolution limit [Å]	1.490	1.490
Rmerge	0.177	2.906
Rmeas	0.184	3.028
Rpim	0.050	0.843
Total number of observations		56683
Number of reflections	89725	4424
<I/σ(I)>	6.7	0.4
Completeness [%]	100.0
Redundancy	13.4	12.8
CC(1/2)	0.997	0.383

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	289	0.04 M citric acid, 0.06 M Bis-Tris propane pH 6.5, 24% PEG3350, 6 mg/ml