9IV5

BRD4 in complex with compound7

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL02U1
Synchrotron site	SSRF
Beamline	BL02U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-03-11
Detector	DECTRIS EIGER2 S 9M
Wavelength(s)	0.987
Spacegroup name	P 21 21 21
Unit cell lengths	34.655, 47.469, 78.391
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.220 - 1.590
R-factor	0.2121
Rwork	0.208
R-free	0.24750
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5you
RMSD bond length	0.008
RMSD bond angle	1.061
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.19.2_4158: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	31.230	1.540
High resolution limit [Å]	1.460	1.460
Rmerge	0.091	1.230
Number of reflections	37035	2037
<I/σ(I)>	15.8
Completeness [%]	86.2
Redundancy	9.7
CC(1/2)	0.999	0.850

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	6 M sodium formate and 10 % glycerol