7ZFV

BRD4 in complex with PepLite-Ala

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04-1
Synchrotron site	Diamond
Beamline	I04-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-07-28
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.976230
Spacegroup name	P 21 21 21
Unit cell lengths	37.890, 43.309, 79.154
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.990 - 1.370
Rwork	0.190
R-free	0.22290
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5lrq
RMSD bond length	0.014
RMSD bond angle	2.274
Data reduction software	xia2
Data scaling software	Aimless (0.7.4)
Phasing software	PHASER
Refinement software	REFMAC (5.8.0314)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	37.990	37.990	1.390
High resolution limit [Å]	1.370	7.500	1.370
Rmerge	0.075	0.080	1.056
Rmeas	0.086	0.093	1.371
Rpim	0.042	0.046	0.866
Number of reflections	23860	216	407
<I/σ(I)>	10.9
Completeness [%]	84.7
Redundancy	6.5	6	3.7
CC(1/2)	0.997	0.985	0.475

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	0.1 M Buffer system 3 (1 M Tris, 1 M BICINE, pH 8.5), 34-44% Precipitant Solution 3 (20% PEG 4000, 40%) and 60-80 mM Halogens Mix (NaF, NaBr and NaI) solution