6RJE

Lysostaphin SH3b P4-G5 complex, homesource dataset

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007
Temperature [K]	100
Detector technology	CCD
Collection date	2018-09-19
Detector	RIGAKU
Wavelength(s)	1.54
Spacegroup name	P 41 21 2
Unit cell lengths	47.190, 47.190, 123.060
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.980 - 2.500
R-factor	0.2557
Rwork	0.254
R-free	0.29050
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5leo
RMSD bond length	0.003
RMSD bond angle	1.180
Data reduction software	XDS
Data scaling software	Aimless (0.5.21)
Phasing software	PHASER
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	33.370	33.370	2.600
High resolution limit [Å]	2.500	9.010	2.500
Rmerge	0.130	0.063	0.224
Rmeas	0.136	0.068	0.238
Rpim	0.039	0.022	0.076
Total number of observations	62603	1347	4903
Number of reflections	5260	152	552
<I/σ(I)>	14.3	15.6	6
Completeness [%]	99.6	98	98.7
Redundancy	11.9	8.9	8.9
CC(1/2)	0.993	0.996	0.964

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	289	100mM Bis-tris pH 5.5 25% w/v PEG3350 200mM ammonium sulphate