7ZOB

Metagenomic cytidine deaminase Cdd

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P13 (MX1)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-09-06
Detector	DECTRIS EIGER X 4M
Wavelength(s)	0.9763
Spacegroup name	C 1 2 1
Unit cell lengths	97.484, 128.899, 97.259
Unit cell angles	90.00, 90.02, 90.00

Refinement procedure

Resolution	60.720 - 1.200
R-factor	0.1471
Rwork	0.145
R-free	0.16140
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	homology model using 1jtk as a template
Data reduction software	XDS (VERSION Feb 5, 2021)
Data scaling software	SCALA (6.2)
Phasing software	PHASER (2.8.3)
Refinement software	PHENIX (phenix-1.19.2-4158)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	77.752	77.752	1.260
High resolution limit [Å]	1.200	3.790	1.200
Rmerge		0.063	0.305
Rmeas	0.076	0.086	0.366
Rpim	0.030	0.037	0.140
Total number of observations	2430277	68561	357179
Number of reflections	371946	11760	54119
<I/σ(I)>	18.8	31	7.1
Completeness [%]	99.8	98.2	99.4
Redundancy	6.5	5.8	6.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.6	292	28% 2-methyl-2,4-pentanediol, 0.02 M magnesium acetate, 0.1 M Na-MES, pH 4.6