4AKT

PatG macrocyclase in complex with peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Temperature [K]	100
Spacegroup name	C 1 2 1
Unit cell lengths	135.630, 67.320, 137.870
Unit cell angles	90.00, 116.76, 90.00

Refinement procedure

Resolution	21.420 - 2.630
R-factor	0.19168
Rwork	0.190
R-free	0.21844
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.253
Phasing software	PHASER
Refinement software	REFMAC (5.6.0119)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	21.420	2.770
High resolution limit [Å]	2.630	2.630
Rmerge	0.110	0.520
Number of reflections	31502
<I/σ(I)>	10.1	2.3
Completeness [%]	99.3	96.4
Redundancy	3.7	3.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1