4KRU

X-ray structure of catalytic domain of endolysin from clostridium perfringens phage phiSM101

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	2012-09-27
Detector	RIGAKU RAXIS VII
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	47.770, 57.620, 73.420
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.960 - 1.370
R-factor	0.172
Rwork	0.172
R-free	0.19300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1jfx
RMSD bond length	0.005
RMSD bond angle	1.400
Data reduction software	CrystalClear
Data scaling software	CrystalClear
Phasing software	MOLREP
Refinement software	CNS (1.3)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.960	1.420
High resolution limit [Å]	1.370	1.370
Rmerge	0.024	0.071
Number of reflections	42675
<I/σ(I)>	42.5	11.7
Completeness [%]	98.4	85
Redundancy	6.15	2.52

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.2	293	20% PEG 3000, 0.2M Lithium sulphate, 0.1M phosphate-citrate, pH 4.2, VAPOR DIFFUSION, SITTING DROP, temperature 293K