9MRV

Crystal structures of a cyanobacterial DAP epimerase bound to 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]	93.15
Detector technology	PIXEL
Collection date	2023-10-25
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.979
Spacegroup name	P 1
Unit cell lengths	47.496, 103.878, 103.865
Unit cell angles	61.01, 78.42, 78.62

Refinement procedure

Resolution	46.210 - 1.690
R-factor	0.2017
Rwork	0.202
R-free	0.20450
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.989
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	46.210	46.210	1.790
High resolution limit [Å]	1.690	5.040	1.690
Rmerge	0.034	0.017	0.334
Rmeas	0.048	0.024	0.472
Number of reflections	181623	3520	18843
<I/σ(I)>	10.24
Completeness [%]	95.7
Redundancy	7.1
CC(1/2)	0.999	0.999	0.838

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	291.15	0.15M DL-Malic acid, 20% w/v PEG 3350