9QRK

Structure of BromoCatch: Brd2BD2 L383A,D434C in complex with MR116.

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I24
Synchrotron site	Diamond
Beamline	I24
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-05-20
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.6199
Spacegroup name	P 21 21 2
Unit cell lengths	52.130, 71.640, 32.050
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.846 - 1.300
Rwork	0.147
R-free	0.16300
Structure solution method	SAD
RMSD bond length	0.014
RMSD bond angle	2.265
Data reduction software	xia2
Data scaling software	Aimless (0.7.15)
Refinement software	REFMAC (5.8.0425)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.846	1.330
High resolution limit [Å]	1.300	1.300
Rmerge	0.035	0.096
Rmeas	0.037	0.104
Rpim	0.014	0.039
Number of reflections	30315	2215
<I/σ(I)>	42.6	20.7
Completeness [%]	99.9
Redundancy	13.2	13.2
CC(1/2)	1.000	0.997

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	292	Morpheus: PEG 500 MME 40% (v/v), PEG 20,000 20 % (w/v), 0.12 M ethylene glycols, 0.1 M Tris-BICINE pH 8.5