8VQG

X-ray crystal structure of Can f 1

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-03-13
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	1.000
Spacegroup name	C 2 2 21
Unit cell lengths	85.494, 109.160, 127.764
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.015 - 2.550
Rwork	0.222
R-free	0.25960
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	8epu
RMSD bond length	0.004
RMSD bond angle	1.137
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	2.590
High resolution limit [Å]	2.500	2.550
Rmerge	0.090	0.623
Rmeas	0.097	0.676
Rpim	0.036	0.258
Number of reflections	20197	1005
<I/σ(I)>	24.3	2.3
Completeness [%]	99.9	99.3
Redundancy	7.2	6.2
CC(1/2)	0.996	0.811

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	293	1.5 M sodium malonate