4B4I

1.20 A Structure of Lysozyme Crystallized with (S)-2-methyl-2,4- pentanediol

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X6A
Synchrotron site	NSLS
Beamline	X6A
Temperature [K]	100
Detector technology	CCD
Collection date	2011-04-23
Detector	ADSC CCD
Spacegroup name	P 43 21 2
Unit cell lengths	77.441, 77.441, 37.945
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	21.480 - 1.200
R-factor	0.13109
Rwork	0.129
R-free	0.16729
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	INHOUSE MODEL
RMSD bond length	0.007
RMSD bond angle	1.214
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.220
High resolution limit [Å]	1.200	1.200
Rmerge	0.080	0.790
Number of reflections	36597
<I/σ(I)>	45.1	3.6
Completeness [%]	99.7	100
Redundancy	14	12.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	277	CRYSTALLIZATION BY HANGING DROP AT 4C. CONDITIONS IN DROP: PROTEIN AT 35 MG/ML IN 200MM TRIS (PH=8.0) AND 30% (V/V) (S)-MPD. CONDITIONS IN RESERVOIR: 200MM TRIS (PH=8.0) AND 60% (V/V) (S)-MPD.