4B1A

Crystal structure of lysozyme with Keggin molecule

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-1
Synchrotron site	ESRF
Beamline	ID14-1
Temperature [K]	160
Detector technology	CCD
Detector	ADSC QUANTUM 210
Spacegroup name	P 43 21 2
Unit cell lengths	77.960, 77.960, 36.410
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.380 - 1.670
R-factor	0.21501
Rwork	0.212
R-free	0.26664
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	193l
RMSD bond length	0.022
RMSD bond angle	1.840
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.380	1.760
High resolution limit [Å]	1.670	1.670
Rmerge	0.020	0.100
Number of reflections	13544
<I/σ(I)>	29.7	6.4
Completeness [%]	99.6	100
Redundancy	13.5	13.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		4.5		2-10% (M/V) NACL AND 0.1 M ACETATE BUFFER PH 4.5 (THE PROTEIN:WELL SOLUTION RATIO IN THE DROP WAS 1:1 WITH THE FINAL DROP VOLUME OF 4 MICROLITER USING A PROTEIN STOCK CONCENTRATION OF AROUND 50 MG/ML.