7JTA

Crystal structure of a putative nuclease with anti-Cas9 activity from an uncultured Clostridia bacterium

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-BM
Synchrotron site	APS
Beamline	19-BM
Temperature [K]	108
Detector technology	CCD
Collection date	2018-08-01
Detector	ADSC QUANTUM 210
Wavelength(s)	1.02111
Spacegroup name	P 43 3 2
Unit cell lengths	128.561, 128.561, 128.561
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.854 - 2.801
R-factor	0.2247
Rwork	0.222
R-free	0.24630
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Robetta model
RMSD bond length	0.003
RMSD bond angle	0.610
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER (2.8.1)
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.900
High resolution limit [Å]	2.800	6.030	2.800
Rmerge	0.106	0.084	0.906
Rmeas	0.112	0.090	0.953
Rpim	0.034	0.029	0.289
Total number of observations	96848
Number of reflections	9344	987	920
<I/σ(I)>	10.3
Completeness [%]	98.7	92.1	100
Redundancy	10.4	9.4	10.7
CC(1/2)		0.995	0.837

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	40% MPD, 0.2M ammonium nitrate, 10mM MgCl2