7V3N

The complex structure of soBcmB-D307A and its natural precursor 2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-06-06
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97913
Spacegroup name	P 43 21 2
Unit cell lengths	114.460, 114.460, 55.570
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	80.935 - 1.850
R-factor	0.167576180049
Rwork	0.166
R-free	0.19361
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7v3o
RMSD bond length	0.006
RMSD bond angle	1.160
Data reduction software	XDS
Data scaling software	autoPROC
Phasing software	PHASER
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	80.940	1.900
High resolution limit [Å]	1.850	1.850
Rmerge	0.090	0.561
Number of reflections	32011	2240
<I/σ(I)>	22.1
Completeness [%]	99.7
Redundancy	18.8
CC(1/2)	0.999	0.799

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.1M MES monohydrate pH 6.5, 1.6M Ammonium sulfate, 10% 1.4-dioxane