10LP

Crystal structure of mouse CD38 with compound 9

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 17-ID
Synchrotron site	APS
Beamline	17-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-01-30
Detector	DECTRIS EIGER2 X 9M
Wavelength(s)	1.0000
Spacegroup name	P 21 2 21
Unit cell lengths	85.585, 57.260, 58.233
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.790 - 1.960
R-factor	0.192
Rwork	0.190
R-free	0.22770
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.013
RMSD bond angle	1.094
Data reduction software	autoPROC (1.1.7)
Data scaling software	autoPROC (1.1.7)
Phasing software	PHASER (2.8.3)
Refinement software	PHENIX (1.21.2_5419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	85.560	1.989
High resolution limit [Å]	1.955	1.955
Rmerge	0.105	1.850
Rmeas	0.126	2.600
Rpim	0.069	1.826
Number of reflections	20996	2059
<I/σ(I)>	12.2	3.7
Completeness [%]	98.4	98.9
Redundancy	6.3	5.8
CC(1/2)	0.990	0.115

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	296	20% PEG 3350 and 200 mM ammonium citrate