7UQW

PCC6803 Cyanophycinase S132DAP covalently bound to cyanophycin dimer

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-04-13
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.97918
Spacegroup name	C 2 2 21
Unit cell lengths	76.463, 132.947, 164.092
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	61.610 - 1.500
R-factor	0.1821
Rwork	0.181
R-free	0.19900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3en0
RMSD bond length	0.016
RMSD bond angle	1.654
Data reduction software	XDS
Data scaling software	pointless
Phasing software	PHASER
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	61.610	1.530
High resolution limit [Å]	1.500	1.500
Number of reflections	133142	13155
<I/σ(I)>	15.18	3.1
Completeness [%]	99.9
Redundancy	12.9
CC(1/2)	0.997	0.866

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295	0.1 M MES pH 6.6, 1.65 M ammonium sulfate and 4% formamide