5JDT

Structure of Spin-labelled T4 lysozyme mutant L118C-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	2014-06-24
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.895
Spacegroup name	P 32 2 1
Unit cell lengths	60.280, 60.280, 96.970
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	17.763 - 1.000
R-factor	0.1152
Rwork	0.115
R-free	0.12960
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2nth
RMSD bond length	0.017
RMSD bond angle	1.470
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]	20.000	1.060
High resolution limit [Å]	1.000	1.000
Number of reflections	110425
<I/σ(I)>	14.8	4.1
Completeness [%]	99.9	100
Redundancy	7.6	4.8
CC(1/2)	0.999

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.8	291	2.0 M NA/K PHOSPHATE, 240 mM NACL, 40 mM 2-HYDROXYETHYL DISULFIDE, PH 6.8