7FBD

De novo design protein D53 with MBP tag

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-06-18
Detector	DECTRIS PILATUS 200K
Wavelength(s)	1.5406
Spacegroup name	H 3 2
Unit cell lengths	158.469, 158.469, 266.194
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	13.081 - 2.850
R-factor	0.2308
Rwork	0.228
R-free	0.27730
Structure solution method	MIR
RMSD bond length	0.010
RMSD bond angle	0.970
Data reduction software	HKL-3000
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]	89.030	89.030	2.750
High resolution limit [Å]	2.605	8.240	2.610
Rmerge	0.506	0.358	1.506
Rmeas	0.522	0.368	1.564
Rpim	0.125	0.084	0.421
Total number of observations		24056	79709
Number of reflections	29930	1375	5820
<I/σ(I)>	5.7	8.9	2.3
Completeness [%]	100.0	99.9	100
Redundancy	16.8	17.5	13.7
CC(1/2)	0.973	0.976	0.792

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	289	2.2M Sodium malonate pH 7.0