45KK

6-conformation model of Hen Egg White Lysozyme at 100K

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL14-1
Synchrotron site	SSRL
Beamline	BL14-1
Temperature [K]	100
Detector technology	CCD
Collection date	2013-07-19
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	1.21549
Spacegroup name	P 43 21 2
Unit cell lengths	77.289, 77.289, 37.205
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.640 - 1.200
R-factor	0.0522
Rwork	0.050
R-free	0.08530
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.060
Data reduction software	XDS
Data scaling software	SCALA
Refinement software	PHENIX (2.0_5793)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.650	1.260
High resolution limit [Å]	1.198	1.200
Rmerge		0.098
Number of reflections	35966	4943
<I/σ(I)>	45.8	8
Completeness [%]	99.6	97.7
Redundancy	6.6	5.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.5	291	CRYSTALS WERE GROWN BY MIXING EQUAL VOLUMES OF WELL SOLUTION (1.0 M SODIUM CHLORIDE, 50 MM SODIUM ACETATE PH 4.5) AND PROTEIN (40-60 MG/ML)