7VQW

de novo designed protein based on 1r26

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-09-19
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9785
Spacegroup name	P 1 21 1
Unit cell lengths	35.743, 50.458, 65.112
Unit cell angles	90.00, 94.49, 90.00

Refinement procedure

Resolution	39.870 - 2.450
R-factor	0.221
Rwork	0.218
R-free	0.26390
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1r26
RMSD bond length	0.014
RMSD bond angle	1.662
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.490
High resolution limit [Å]	2.450	2.450
Number of reflections	7778	680
<I/σ(I)>	12.515
Completeness [%]	96.0
Redundancy	3.3
CC(1/2)	0.994	0.848

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	PEG 1500