3B72

Crystal structure of lysozyme folded in SDS and 2-methyl-2,4-pentanediol

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SEALED TUBE
Source details	OXFORD DIFFRACTION ENHANCE ULTRA
Temperature [K]	100
Detector technology	CCD
Collection date	2006-10-11
Detector	Ruby CCD detector
Wavelength(s)	1.54
Spacegroup name	P 43 21 2
Unit cell lengths	77.900, 77.900, 37.530
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	10.000 - 1.500
R-factor	0.2044
R-free	0.24070
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1z55
RMSD bond length	0.009
RMSD bond angle	0.026
Phasing software	PHASER
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	10.000	1.500
High resolution limit [Å]	1.500	1.500
Rmerge	0.123	0.308
Number of reflections	19000
<I/σ(I)>	13.7	1.4
Completeness [%]	99.7	99.9
Redundancy	8.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	300	50mM Tris pH8, 70% MPD and 6mM SDS, VAPOR DIFFUSION, HANGING DROP, temperature 300K