8DCU

Lysozyme cluster 0028 (benzamidine ligand)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-1
Synchrotron site	NSLS-II
Beamline	17-ID-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-12-14
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.92
Spacegroup name	P 43 21 2
Unit cell lengths	79.590, 79.590, 37.760
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.830 - 2.000
R-factor	0.21057
Rwork	0.208
R-free	0.26192
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4n8z
RMSD bond length	0.006
RMSD bond angle	1.482
Data reduction software	XDS
Data scaling software	XDS
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.120
High resolution limit [Å]	2.000	2.000
Rmerge	0.426	2.010
Number of reflections	14696	2331
<I/σ(I)>	2.1
Completeness [%]	93.7
Redundancy	3.64
CC(1/2)	0.861	0.159

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.6	290	4% SODIUM CHLORIDE, 100MM SODIUM ACETATE PH 4.6, 120MG/ML