7V9B

Crystal Structure of 14-3-3 epsilon with FOXO3a peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	RRCAT INDUS-2 BEAMLINE PX-BL21
Synchrotron site	RRCAT INDUS-2
Beamline	PX-BL21
Temperature [K]	100
Detector technology	CCD
Collection date	2020-03-12
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.97947
Spacegroup name	C 2 2 21
Unit cell lengths	77.880, 81.040, 83.280
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.460 - 1.850
R-factor	0.16763
Rwork	0.167
R-free	0.18879
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2br9
RMSD bond length	0.013
RMSD bond angle	1.750
Data reduction software	iMOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC (5.8.0257)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	36.460	1.950
High resolution limit [Å]	1.850	1.850
Rmerge	0.120	0.743
Rmeas	0.131	0.815
Rpim	0.052	0.330
Number of reflections	22570	3185
<I/σ(I)>	9.8	2.6
Completeness [%]	99.4	98.1
Redundancy	6.2	5.8
CC(1/2)	0.994	0.773

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	289.15	0.1 M Imidazole pH 8.0, 10 % PEG 4000, 30 % MPD