4B4J

1.25 A Structure of Lysozyme Crystallized with (RS)-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	77.671, 77.671, 37.702
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.050 - 1.250
R-factor	0.13176
Rwork	0.130
R-free	0.15571
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	INHOUSE MODEL
RMSD bond length	0.007
RMSD bond angle	1.272
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	1.270
High resolution limit [Å]	1.250	1.250
Rmerge	0.060	0.560
Number of reflections	32449
<I/σ(I)>	45.9	5.5
Completeness [%]	99.8	99.6
Redundancy	14.1	13.2

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) (RS)-MPD. CONDITIONS IN RESERVOIR: 200MM TRIS PH 8.0 AND 60% (V/V) (RS)-MPD.