5WQD

Crystal structure of TRF2 TRFH in complex with an NBS1 peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2007-03-09
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.9787
Spacegroup name	P 21 21 2
Unit cell lengths	144.616, 153.267, 108.029
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.171 - 3.000
R-factor	0.2351
Rwork	0.233
R-free	0.28440
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3bua
RMSD bond length	0.003
RMSD bond angle	0.551
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER (2.5.6)
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	3.050
High resolution limit [Å]	3.000	8.130	3.000
Rmerge	0.080	0.024	0.437
Number of reflections	47897
<I/σ(I)>	8.7
Completeness [%]	96.4	99.9	79.9
Redundancy	7.5	8.5	3.4
CC(1/2)		1.000	0.938

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	0.1M MES, 20% PEG8000, 2mM DTT