7ZAA

BRD4 in complex with FragLite11

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	2019-10-18
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.89844
Spacegroup name	P 21 21 21
Unit cell lengths	37.950, 43.199, 79.260
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.630 - 1.150
Rwork	0.205
R-free	0.22520
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5lrq
RMSD bond length	0.012
RMSD bond angle	2.030
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]	39.630	39.630	1.170
High resolution limit [Å]	1.150	6.300	1.150
Rmerge	0.089	0.028	2.650
Rmeas	0.096	0.030	2.978
Rpim	0.037	0.011	1.320
Number of reflections	46536	353	1864
<I/σ(I)>	12
Completeness [%]	98.7
Redundancy	12.5	11.5	8.8
CC(1/2)	1.000	0.999	0.341

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