7ULD

GTP complex of F420-gamma glutamyl ligase (CofE) from Archaeoglobus fulgidus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-04-25
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.95370
Spacegroup name	P 41 2 2
Unit cell lengths	68.544, 68.544, 93.243
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.040 - 1.300
R-factor	0.157
Rwork	0.156
R-free	0.18210
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2phn
RMSD bond length	0.006
RMSD bond angle	1.374
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.600	1.320
High resolution limit [Å]	1.300	1.300
Rpim	0.031	0.693
Number of reflections	55332	2692
<I/σ(I)>	12.3	1.2
Completeness [%]	100.0	100
Redundancy	28	27.2
CC(1/2)	0.999	0.517

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	0.8 M ammonium sulfate, 0.1 M citrate pH 4.5, 2 mM GTP, 5 mM Mn2+