7JT4

Crystal Structure of BPTF bromodomain labelled with 5-fluoro-tryptophan

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007
Temperature [K]	100
Detector technology	CCD
Collection date	2018-11-20
Detector	RIGAKU SATURN 944+
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	27.335, 66.763, 39.260
Unit cell angles	90.00, 105.02, 90.00

Refinement procedure

Resolution	19.960 - 2.060
R-factor	0.1664
Rwork	0.165
R-free	0.18620
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3qzs
RMSD bond length	0.002
RMSD bond angle	0.507
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	26.400	2.139
High resolution limit [Å]	2.060	2.065
Rmerge	0.033	0.090
Number of reflections	7452	761
<I/σ(I)>	19.77	9.55
Completeness [%]	88.6
Redundancy	2
CC(1/2)	0.998	0.980

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	25% (w/v) polyethylene glycol 1500 and 10% (w/v) proprionate-cacodylate-bis tris propane