8B2G

SH3-like domain from Penicillium virgatum muramidase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	CCD
Collection date	2017-06-27
Detector	ADSC QUANTUM 315
Wavelength(s)	1.28249
Spacegroup name	P 1 21 1
Unit cell lengths	36.142, 59.824, 36.109
Unit cell angles	90.00, 112.13, 90.00

Refinement procedure

Resolution	33.479 - 1.500
Rwork	0.163
R-free	0.17250
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	8b2s
RMSD bond length	0.013
RMSD bond angle	1.795
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0352)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	59.820	59.820	1.530
High resolution limit [Å]	1.500	8.220	1.500
Rmerge	0.082	0.046	0.967
Rmeas	0.108	0.061	1.282
Rpim	0.069	0.040	0.835
Number of reflections	21381	155	731
<I/σ(I)>	7.4	18.3	1
Completeness [%]	93.8	98.9	66.8
Redundancy	4	3.8	3.2
CC(1/2)	0.995	0.995	0.261

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	PACT C9=0.2 M LiCl, 0.1 M Hepes pH 7.0, 20% PEG 6K, MMS (microseed matrix screening) from JCSG, C7=0.2 M zinc acetate dehydrate, 0.1 M sodium acetate, 10%w/v PEG 3000