9MS3

Crystal structure of Bmp7 in complex with 2,4-dibromophenol generated by substrate soaking

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	102.096, 102.096, 159.952
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.630 - 2.250
R-factor	0.1891
Rwork	0.187
R-free	0.22940
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.843
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHENIX
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.290
High resolution limit [Å]	2.250	6.100	2.250
Rmerge	0.152	0.063	0.824
Rmeas	0.159	0.066	0.874
Rpim	0.046	0.019	0.278
Number of reflections	42958	2503	1853
<I/σ(I)>	15.5
Completeness [%]	97.7	99.9	81.1
Redundancy	11.3	11.6	6.9
CC(1/2)	0.997	0.997	0.897

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