5Z4C

Crystal structure of Tailor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-07-13
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9778
Spacegroup name	C 2 2 21
Unit cell lengths	62.016, 84.839, 148.671
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.419 - 1.650
R-factor	0.1706
Rwork	0.169
R-free	0.19710
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4nkt
RMSD bond length	0.010
RMSD bond angle	0.952
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((1.10_2155: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.680
High resolution limit [Å]	1.650	4.480	1.650
Rmerge	0.060	0.047	0.464
Rmeas	0.063	0.049	0.485
Rpim	0.018	0.014	0.138
Number of reflections	47282	2555	2295
<I/σ(I)>	5.8
Completeness [%]	99.4	100	97.8
Redundancy	12	12.9	11.5
CC(1/2)		0.998	0.954

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	0.2M Lithium sulfate monohydrate, 0.1M Tris pH 8.4, 15% w/v PEG 3350