4H9I

Radiation damage study of lysozyme - 1.05 MGy

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	CCD
Collection date	2011-02-12
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	1.0332
Spacegroup name	P 43 21 2
Unit cell lengths	78.774, 78.774, 36.870
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	26.917 - 1.200
R-factor	0.1918
Rwork	0.191
R-free	0.20300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6lyz
RMSD bond length	0.007
RMSD bond angle	1.136
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	PHENIX (1.7.2_862)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.220
High resolution limit [Å]	1.200	3.260	1.200
Rmerge	0.032	0.018	0.316
Number of reflections	36619
<I/σ(I)>	15.2
Completeness [%]	99.3	93.1	100
Redundancy	4.5	4.4	4.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.8	298	7.5% sodium chloride, 100 mM sodium acetate pH 4.8, 25% ethylene glycol, vapor diffusion, hanging drop, temperature 298K