6TLF

human 14-3-3 sigma isoform in complex with IMP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04-1
Synchrotron site	Diamond
Beamline	I04-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-04-29
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9159
Spacegroup name	I 21 21 21
Unit cell lengths	63.294, 100.896, 157.017
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	78.630 - 2.900
R-factor	0.2088
Rwork	0.206
R-free	0.24570
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1yz5
RMSD bond length	0.012
RMSD bond angle	1.990
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	84.880	3.060
High resolution limit [Å]	2.900	2.900
Rmerge	0.104	0.928
Rmeas	0.116	1.033
Rpim	0.050
Number of reflections	11508	1638
<I/σ(I)>	10.1	2.1
Completeness [%]	100.0	100
Redundancy	5.2	5.1
CC(1/2)	0.998	0.727

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	9	281	40 % wt/vol PEG 4000, 600mM ammonium sulfate, 100 mM Tris-HCl, pH 9.0