9MRO

Crystal structures of a cyanobacterial DAP epimerase bound to either D,L-aziDAP or D,L-alpha-methyl DAP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08B1-1
Synchrotron site	CLSI
Beamline	08B1-1
Temperature [K]	93
Detector technology	PIXEL
Collection date	2023-10-25
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.979
Spacegroup name	P 1
Unit cell lengths	47.622, 103.771, 103.770
Unit cell angles	60.23, 78.53, 78.54

Refinement procedure

Resolution	38.290 - 1.590
R-factor	0.2095
Rwork	0.209
R-free	0.21360
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.062
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.300	1.910
High resolution limit [Å]	1.590	1.590
Number of reflections	420990	11893
<I/σ(I)>	9.69
Completeness [%]	94.7
Redundancy	3.6
CC(1/2)	0.998	0.566

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	291.15	0.1 M Succinic acid pH 7.0, 15% w/v Polyethylene glycol 3,350