9YVV

Cocrystallized structure of Bmp7 in complex with 2,4-dibromophenol

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2025-10-08
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0000
Spacegroup name	P 32 2 1
Unit cell lengths	101.220, 101.220, 159.924
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	45.550 - 2.320
R-factor	0.1946
Rwork	0.193
R-free	0.23040
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.848
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHENIX
Refinement software	PHENIX ((1.19.2_4158: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.360
High resolution limit [Å]	2.320	6.290	2.320
Rmerge	0.138	0.050	0.782
Rmeas	0.155	0.056	0.907
Rpim	0.070	0.025	0.449
Total number of observations	187795
Number of reflections	40817	2158	1661
<I/σ(I)>	5
Completeness [%]	97.4	95.1	79.9
Redundancy	4.6	4.8	3.1
CC(1/2)	0.993	0.997	0.847

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		278	20% PEG 3350 and 0.2 M of sodium citrate tribasic dihydrate. Enzyme was premixed with 2.5 eq substrate before wells were set.