7ZA6

BRD4 in complex with FragLite4

This is a non-PDB format compatible entry.

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	2019-11-23
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.91167
Spacegroup name	P 21 21 21
Unit cell lengths	37.919, 43.119, 79.236
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.620 - 1.120
Rwork	0.196
R-free	0.22120
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5lrq
RMSD bond length	0.011
RMSD bond angle	1.814
Data reduction software	xia2
Data scaling software	Aimless (0.7.4)
Phasing software	PHASER
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	39.620	39.620	1.140
High resolution limit [Å]	1.120	6.030	1.120
Rmerge	0.103	0.062	2.612
Rmeas	0.112	0.067	2.893
Rpim	0.044	0.025	1.217
Number of reflections	50845	401	2563
<I/σ(I)>	12.1
Completeness [%]	100.0
Redundancy	12.1	11.1	10.5
CC(1/2)	0.999	0.998	0.403

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