8GZI

Crystal Structure of ApiI in complex with SAH

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-11-08
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9792
Spacegroup name	P 31 2 1
Unit cell lengths	98.024, 98.024, 80.257
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	37.521 - 2.122
R-factor	0.205122000596
Rwork	0.203
R-free	0.25368
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7wup
RMSD bond length	0.008
RMSD bond angle	0.927
Data reduction software	xia2
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX (1.12_2829)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	37.522	2.180
High resolution limit [Å]	2.120	2.120
Rmerge	0.087	0.577
Rmeas		0.606
Rpim	0.028	0.185
Number of reflections	25591	1855
<I/σ(I)>	20	2.3
Completeness [%]	100.0	100
Redundancy	19.9	20.7
CC(1/2)	0.999	0.996

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		289	0.2 M Sodium chloride, 0.1 M MES pH6, 20%(w/v)PEG 2000 MME