9GUN

Structure of a Putative Cyclodipeptide synthase from Porphyromonas gingivalis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	CCD
Collection date	2021-04-21
Detector	RIGAKU SATURN 944
Wavelength(s)	1.5418
Spacegroup name	P 32 2 1
Unit cell lengths	69.779, 69.779, 86.642
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	24.780 - 2.080
R-factor	0.2249
Rwork	0.224
R-free	0.23680
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.479
Data reduction software	MOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.21.1_5286: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	24.780	2.140
High resolution limit [Å]	2.079	2.080
Rmerge	0.105	0.046
Rmeas	0.108
Number of reflections	15120	3825
<I/σ(I)>	20.78
Completeness [%]	100.0
Redundancy	20.6
CC(1/2)	0.999

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293.15	0.2 M sodium nitrate, 0.1 M bis-tris propane (pH 8.5) and 20 % PEG 3350