9L14

Crystal structure of the monobody CL-1 in complex with the Escherichia coli adenylate kinase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL45XU
Synchrotron site	SPring-8
Beamline	BL45XU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-05-24
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.0
Spacegroup name	P 61
Unit cell lengths	63.530, 63.530, 128.910
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	31.760 - 1.860
R-factor	0.1942
Rwork	0.192
R-free	0.23540
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.047
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX ((1.17.1_3660: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	31.760	1.790
High resolution limit [Å]	1.690	1.690
Number of reflections	32927	5172
<I/σ(I)>	11.43
Completeness [%]	99.9
Redundancy	2
CC(1/2)	0.998	0.576

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.1M HEPES buffer pH 7.5, 10% (v/v) 2-propanol, 20% (w/v) polyethylene glycol 4000