5NX0

Structure of Spin-labelled T4 lysozyme mutant L115C-R119C-R1 at room temperature

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RUH2R
Temperature [K]	298
Detector technology	IMAGE PLATE
Collection date	2016-09-26
Detector	MARRESEARCH
Wavelength(s)	1.5418
Spacegroup name	P 32 2 1
Unit cell lengths	61.075, 61.075, 97.066
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	52.890 - 1.803
R-factor	0.16044
Rwork	0.158
R-free	0.20853
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5lwo
RMSD bond length	0.019
RMSD bond angle	1.879
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	52.890	1.868
High resolution limit [Å]	1.803	1.803
Rmerge	0.035	0.519
Number of reflections	19432	1809
<I/σ(I)>	13.92	1.12
Completeness [%]	98.0	92
Redundancy	1.8	1.6
CC(1/2)	0.990	0.625

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7.2	277	2.0 M K2HPO4/NAH2PO4, 250 MM NACL, 0.04 % AZIDE, 20 MM DITHIODIETHANOL, PH 7.2