4II8

Lysozyme with Benzyl alcohol

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2012-08-16
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.5418
Spacegroup name	P 43 21 2
Unit cell lengths	78.198, 78.198, 37.174
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.971 - 1.880
R-factor	0.1851
Rwork	0.183
R-free	0.22450
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1bgi
RMSD bond length	0.007
RMSD bond angle	1.072
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MLPHARE
Refinement software	PHENIX ((phenix.refine: 1.7.2_869))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.910
High resolution limit [Å]	1.880	1.880
Rmerge	0.038	0.164
Number of reflections	9843
<I/σ(I)>	55.51	0.169
Completeness [%]	99.7	100
Redundancy	8.8	8.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	3.8	318	Protein Solution: 20mg/ml lysozyme,50mM sodium acetate, 150mM NaCl, Reservoir Solution: 50mM sodium acetate, 1-1.5M NaCl, 2.5% benzyl alcohol, pH 3.8, VAPOR DIFFUSION, HANGING DROP, temperature 318K