4AKS

PatG macrocyclase domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Temperature [K]	100
Spacegroup name	C 1 2 1
Unit cell lengths	132.080, 67.580, 97.340
Unit cell angles	90.00, 115.01, 90.00

Refinement procedure

Resolution	33.790 - 2.190
R-factor	0.20386
Rwork	0.203
R-free	0.22411
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.249
Phasing software	PHASER
Refinement software	REFMAC (5.6.0119)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	33.790	2.240
High resolution limit [Å]	2.190	2.190
Rmerge	0.060	0.500
Number of reflections	38196
<I/σ(I)>	13.7	2.9
Completeness [%]	99.5	98.8
Redundancy	3.6	3.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1