6V51

Spin-labeled T4 Lysozyme (9/131FnbY)-(4-Amino-TEMPO)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-07-12
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1.0332
Spacegroup name	P 32 2 1
Unit cell lengths	59.407, 59.407, 95.489
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	31.830 - 1.500
Rwork	0.168
R-free	0.18390
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1p2l
RMSD bond length	0.006
RMSD bond angle	1.149
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (v1.13)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	31.830	1.554
High resolution limit [Å]	1.500	1.500
Rmerge	0.010	0.043
Rmeas	0.013	0.061
Rpim	0.010	0.043
Number of reflections	31896	3148
<I/σ(I)>	40.17
Completeness [%]	100.0	100
Redundancy	2	2
CC(1/2)	1.000	0.994

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	sodium/potassium phosphate, sodium chloride, hexane-1,6-diol, 2-propanol