7QB8

Crystal structure of a cyclodipeptide synthase from Parcubacteria bacterium RAAC4_OD1_1, WT form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-05-12
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.9763
Spacegroup name	P 42 21 2
Unit cell lengths	102.611, 102.611, 49.758
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	51.306 - 1.900
R-factor	0.2248
Rwork	0.224
R-free	0.24160
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7QAE
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	72.560	72.610	1.930
High resolution limit [Å]	1.900	5.160	1.900
Rmeas	0.074	0.072	1.605
Rpim	0.010	0.011	0.232
Total number of observations	1128594	56348	48267
Number of reflections	21533	1216	1058
<I/σ(I)>	31.4	78.8	1.7
Completeness [%]	100.0	100	99.9
Redundancy	52.4	46.3	45.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	2.27 M Ammonium Sulfate, 0.1 M Sodium acetate pH 5.13