6NOO

Structure of Cyanothece McdA-AMPPNP complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.3.1
Synchrotron site	ALS
Beamline	8.3.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-04-14
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1.0
Spacegroup name	P 64 2 2
Unit cell lengths	154.891, 154.891, 181.299
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	134.140 - 2.500
R-factor	0.1986
Rwork	0.197
R-free	0.22480
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6non
RMSD bond length	0.008
RMSD bond angle	1.168
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	PHENIX (1.6.4_486)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	134.140	2.640
High resolution limit [Å]	2.500	2.500
Rpim	0.021	0.750
Number of reflections	81993
<I/σ(I)>	20.2	1
Completeness [%]	99.9	99.9
Redundancy	6.1	6
CC(1/2)	0.999	0.356

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	1.2 M sodium thiocyanate, 0.1 M MES