7C5D

Crystal structure of TRF2 TRFH domain in complex with a MCPH1 peptide

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	2017-03-17
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9785
Spacegroup name	P 21 21 21
Unit cell lengths	60.737, 74.941, 98.418
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	31.890 - 2.151
R-factor	0.1911
Rwork	0.189
R-free	0.23480
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1h6p
RMSD bond length	0.005
RMSD bond angle	0.645
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX (1.10.1)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.190
High resolution limit [Å]	2.150	5.830	2.150
Rmerge	0.077	0.024	0.599
Rmeas	0.080	0.025	0.626
Rpim	0.022	0.007	0.181
Total number of observations	326030
Number of reflections	25033	1392	1236
<I/σ(I)>	4.4
Completeness [%]	99.9	99.9	99.6
Redundancy	13	11.7	11.8
CC(1/2)		1.000	0.921

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	9.5	293	30% PEG400, 100 mM CHES-NaOH, pH 9.5