8B2S

GH24 family muramidase from Trichophaea saccata with an SH3-like cell wall binding domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-01-23
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97949
Spacegroup name	P 31 2 1
Unit cell lengths	99.438, 99.438, 133.254
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	46.582 - 1.940
Rwork	0.168
R-free	0.20130
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1hde
RMSD bond length	0.012
RMSD bond angle	1.540
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	BALBES
Refinement software	REFMAC (5.8.0352)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	46.582	46.580	1.990
High resolution limit [Å]	1.940	9.100	1.940
Rmerge	0.073	0.029	2.263
Rmeas	0.083	0.034	2.582
Rpim	0.040	0.016	1.232
Number of reflections	56987	631	3797
<I/σ(I)>	16.2	50.2	0.9
Completeness [%]	100.0	99.3	100
Redundancy	8.2	6.6	8.5
CC(1/2)	0.999	0.999	0.328

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		292	AmSO4 screen (Qiagen), condition C3: 0.2 M potassium fluoride, 2.2 M ammonium sulphate