5XPE

Neutron structure of the T26H mutant of T4 lysozyme

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL26B1
Synchrotron site	SPring-8
Beamline	BL26B1
Temperature [K]	293
Detector technology	CCD
Collection date	2015-05-11
Detector	RAYONIX MX225HE
Wavelength(s)	1.0000
Spacegroup name	P 32 2 1
Unit cell lengths	61.230, 61.230, 96.791
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	17.025 - 2.090
R-factor	0.2275
Rwork	0.225
R-free	0.27800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1qt8
RMSD bond length	0.016
RMSD bond angle	1.432
Data scaling software	SCALA (3.2.25)
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	46.505	17.107	1.710
High resolution limit [Å]	1.648	6.640	1.650
Rmerge	0.053	0.096	0.527
Rmeas	0.057	0.113	0.562
Rpim	0.018	0.058	0.192
Number of reflections	25927		2538
<I/σ(I)>	65.2	5.5	5.3
Completeness [%]	99.9	86	100
Redundancy	10.8	3	8.5
CC(1/2)			0.917

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293	Sodium-potassium phosphate, Sodium chloride, 1,6-Hexanediol
1	VAPOR DIFFUSION, SITTING DROP	7	293	Sodium-potassium phosphate, Sodium chloride, 1,6-Hexanediol