9MAW

Crystal structure of TOPBP1BRCT7-8 domain in complex with 1-Adamantaneacetic acid

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	2024-11-28
Detector	DECTRIS EIGER2 S 9M
Wavelength(s)	0.97918
Spacegroup name	P 65 2 2
Unit cell lengths	83.962, 83.962, 231.916
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	45.330 - 2.450
R-factor	0.1991
Rwork	0.197
R-free	0.23680
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.494
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	PHENIX ((1.19_4092: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.330	2.550
High resolution limit [Å]	2.450	2.450
Rmerge	0.191	0.891
Rmeas	0.200	0.928
Rpim	0.057	0.258
Total number of observations	207808	25211
Number of reflections	17585	2046
<I/σ(I)>	13.2	3.5
Completeness [%]	94.7
Redundancy	11.8	12.3
CC(1/2)	0.996	0.797

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	0.1 M Citric acid, 2.4 M Ammonium sulfate pH 5.0