7FBC

De novo design protein D22 with MBP tag

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-06-25
Detector	DECTRIS EIGER2 X 9M
Wavelength(s)	0.9791
Spacegroup name	P 21 21 21
Unit cell lengths	61.629, 77.137, 94.884
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.069 - 1.850
R-factor	0.1858
Rwork	0.184
R-free	0.21500
Structure solution method	MIR
RMSD bond length	0.009
RMSD bond angle	0.892
Data reduction software	XDS
Data scaling software	SCALA (0.7.4)
Phasing software	PHASER
Refinement software	PHENIX (1.10)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.149	48.069	1.850
High resolution limit [Å]	1.740	5.210	1.740
Rmerge	0.084	0.046	1.041
Rmeas	0.096	0.053	1.205
Number of reflections	39308	3324	14074
<I/σ(I)>	10.22	25.93	1.57
Completeness [%]	99.6	99.3	98.4
Redundancy	4.117	4.021	3.858
CC(1/2)	0.997	0.997	0.560

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.24	289	50% v/v PEG 500 MME, 0.1M Sodium HEPES, pH 7.24