1S1J

Crystal Structure of ZipA in complex with indoloquinolizin inhibitor 1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Spacegroup name	P 1 21 1
Unit cell lengths	52.789, 39.461, 70.513
Unit cell angles	90.00, 105.13, 90.00

Refinement procedure

Resolution	19.930 - 2.180
R-factor	0.192
Rwork	0.192
R-free	0.23600
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.200
Phasing software	AMoRE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	99.000	2.250
High resolution limit [Å]	2.170	2.170
Number of reflections	14841
<I/σ(I)>		10.6
Completeness [%]	98.7	92.2
Redundancy	4	3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		6		10-15% PEG 6K, 0.1M MES