7VQL

de novo designed 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)	0.9875
Spacegroup name	P 21 21 21
Unit cell lengths	40.651, 50.809, 65.627
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.580 - 1.750
R-factor	0.218
Rwork	0.216
R-free	0.26410
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1r26
RMSD bond length	0.013
RMSD bond angle	1.718
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	1.780
High resolution limit [Å]	1.750	1.750
Number of reflections	14304	699
<I/σ(I)>	38.41
Completeness [%]	99.9
Redundancy	12.1
CC(1/2)	0.998	0.868

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		289	Ammonium sulfate, BIS-Tris propane