4XAD

Crystal structure of hen egg white lysozyme in complex with Galf-GlcNAc

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-D
Synchrotron site	APS
Beamline	21-ID-D
Temperature [K]	100
Detector technology	CCD
Collection date	2014-11-05
Detector	RAYONIX MX-300
Wavelength(s)	0.97904
Spacegroup name	P 43 21 2
Unit cell lengths	78.002, 78.002, 37.709
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.110 - 1.250
R-factor	0.1414
Rwork	0.140
R-free	0.16810
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	194l
RMSD bond length	0.005
RMSD bond angle	1.013
Data scaling software	SCALEPACK
Phasing software	PHASER (2.5.2)
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.400	30.400	1.290
High resolution limit [Å]	1.250	2.690	1.250
Rmerge	0.089	0.075	0.492
Rmeas	0.090	0.077	0.502
Rpim	0.017	0.015	0.099
Total number of observations	914067
Number of reflections	32700
<I/σ(I)>	11.8
Completeness [%]	99.5	99.7	95.5
Redundancy	28	26.9	24.5
CC(1/2)		0.998	0.962

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.6	298	100 mM NaOAc, 1.5 M NaCl