8DCW

Lysozyme cluster 0062 (NAG and benzamidine ligands)

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	78.780, 78.780, 37.570
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.420 - 2.000
R-factor	0.19003
Rwork	0.187
R-free	0.23738
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4n8z
RMSD bond length	0.008
RMSD bond angle	1.605
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	0.408	1.470
Number of reflections	14987	2411
<I/σ(I)>	3.73
Completeness [%]	97.9
Redundancy	5.08
CC(1/2)	0.859	0.254

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