7OXG

ttSlyD FKBP domain with M8A pseudo-wild-type S2 peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P13 (MX1)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-10-15
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.976300
Spacegroup name	P 1 21 1
Unit cell lengths	34.681, 82.525, 42.268
Unit cell angles	90.00, 110.52, 90.00

Refinement procedure

Resolution	39.590 - 2.000
R-factor	0.2046
Rwork	0.202
R-free	0.24680
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3cgm
RMSD bond length	0.005
RMSD bond angle	0.928
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.17.1_3660: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.590	2.072
High resolution limit [Å]	2.000	2.000
Rmerge	0.108	0.947
Rmeas	0.122
Rpim	0.054	0.462
Number of reflections	15015	1467
<I/σ(I)>	9.89
Completeness [%]	99.4	99.39
Redundancy	4.8	5
CC(1/2)	0.997	0.696

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	COUNTER-DIFFUSION	5.5	292.15	Bis-Tris, PEG 3350