6GFR

cyanobacterial GAPDH with NAD

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I24
Synchrotron site	Diamond
Beamline	I24
Temperature [K]	200
Detector technology	PIXEL
Collection date	2017-02-27
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.96861
Spacegroup name	P 43 21 2
Unit cell lengths	139.865, 139.865, 80.501
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	69.930 - 1.919
R-factor	0.1669
Rwork	0.165
R-free	0.20630
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4boy
RMSD bond length	0.007
RMSD bond angle	0.902
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHASER
Refinement software	PHENIX ((1.13_2998: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	69.930	1.988
High resolution limit [Å]	1.919	1.919
Rmerge	0.221	0.923
Rmeas	0.230	0.963
Number of reflections	61333
<I/σ(I)>	7.94	2.03
Completeness [%]	99.9	99.08
Redundancy	12.9	12.7
CC(1/2)	0.995	0.543

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		290	12% PEG3350 2% Tacsimate, 100 mM Hepes, pH 7