5LWO

Structure of Spin-labelled T4 lysozyme mutant L115C-R119C-R1 at 100K

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.3
Synchrotron site	BESSY
Beamline	14.3
Temperature [K]	100
Detector technology	CCD
Collection date	2015-09-04
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.8946
Spacegroup name	P 32 2 1
Unit cell lengths	60.170, 60.170, 97.720
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	18.299 - 1.183
R-factor	0.1412
Rwork	0.141
R-free	0.16370
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5jdt
RMSD bond length	0.012
RMSD bond angle	1.285
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.250
High resolution limit [Å]	1.180	1.180
Rmerge	0.084	0.744
Number of reflections	66752
<I/σ(I)>	10.1	1.8
Completeness [%]	98.9	96.8
Redundancy	4.4	3.9
CC(1/2)	0.998	0.772

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.8	293	2.0 M NA/K PHOSPHATE, 240 mM NACL, 40 mM 2-HYDROXYETHYL DISULFIDE, PH 6.8