9IOQ

Crystal structure of CapE bound cUA

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-05-17
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9792
Spacegroup name	P 32 2 1
Unit cell lengths	88.942, 88.942, 82.312
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.967 - 1.999
R-factor	0.1985
Rwork	0.197
R-free	0.23770
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	9iom
RMSD bond length	0.005
RMSD bond angle	0.754
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX ((1.16_3549: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.030
High resolution limit [Å]	1.999	2.000
Rmerge	0.109	1.202
Rmeas	0.112
Rpim	0.026	0.282
Number of reflections	25842	1302
<I/σ(I)>	4.7
Completeness [%]	100.0	100
Redundancy	19.1
CC(1/2)	0.996	0.833

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291.15	0.1 M sodium acetate pH 4.5, 5% (w/v) PEG1000, 50% (v/v) ethylene glycol