6YWN

CutA in complex with CMPCPP

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	2017-11-25
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.979000
Spacegroup name	C 2 2 21
Unit cell lengths	88.220, 93.470, 86.830
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.080 - 1.450
R-factor	0.1574
Rwork	0.156
R-free	0.18160
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	XXXX
RMSD bond length	0.012
RMSD bond angle	1.206
Data reduction software	XDS (1.17.1_3660)
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.18_3861)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	32.080	1.540
High resolution limit [Å]	1.450	1.450
Number of reflections	63468	10054
<I/σ(I)>	13
Completeness [%]	99.6	98.5
Redundancy	12.9	12.2
CC(1/2)	0.990	0.650

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298.15	0.1 M sodium formate and 20% polyethylene glycol 3350