6J2M

Crystal structure of AtFKBP53 C-terminal domain

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]	103
Detector technology	CCD
Collection date	2016-12-04
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.9794
Spacegroup name	P 21 21 21
Unit cell lengths	43.040, 48.190, 59.500
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.250 - 1.130
R-factor	0.1259
Rwork	0.125
R-free	0.14543
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3uqa
RMSD bond length	0.020
RMSD bond angle	2.088
Data reduction software	iMOSFLM (7.1.1)
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	28.250	1.150
High resolution limit [Å]	1.130	1.130
Rmerge	0.064	0.290
Rmeas	0.069	0.313
Rpim	0.025	0.118
Number of reflections	46611	15387
<I/σ(I)>	15.4	5
Completeness [%]	99.3	98.5
Redundancy	7.2	6.8
CC(1/2)	0.998	0.957

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	291	0.1 M Tris (pH 8.5), 3.0 M NaCl