7NIT

X-ray structure of a multidomain BbgIII from Bifidobacterium bifidum

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	2019-06-30
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.9795
Spacegroup name	P 1
Unit cell lengths	116.947, 130.042, 200.580
Unit cell angles	86.99, 84.83, 83.79

Refinement procedure

Resolution	199.578 - 2.890
Rwork	0.214
R-free	0.24700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5dmy 1gof 2w1s 2wdc 3f2z and 4lpl
RMSD bond length	0.006
RMSD bond angle	1.259
Data reduction software	Aimless
Data scaling software	autoPROC
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	199.580	199.580	2.940
High resolution limit [Å]	2.890	15.820	2.890
Rmerge	0.087	0.021	1.514
Rmeas	0.123	0.030	2.141
Rpim	0.087	0.021	1.514
Number of reflections	252478	5108	12811
<I/σ(I)>	4.9	15.7	0.5
Completeness [%]	96.2	90.6	98.4
Redundancy	3.6	3.5	3.7
CC(1/2)	0.997	0.999	0.355

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.6	293	1.6 M ammonium sulfate, sodium acetate pH 4.6