9KGM

Complex structure of OsHPPD with MBQ

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	CCD
Collection date	2023-10-04
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9792
Spacegroup name	P 42 21 2
Unit cell lengths	153.676, 153.676, 81.588
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.790 - 2.890
R-factor	0.2766
Rwork	0.276
R-free	0.29220
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.567
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHASER
Refinement software	PHENIX ((1.21.1_5286: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.790	1.910
High resolution limit [Å]	1.799	1.800
Number of reflections	37536	20964
<I/σ(I)>	10.13
Completeness [%]	98.9
Redundancy	2.12
CC(1/2)	0.998	0.939

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		292	0.2M MgCl2, 0.1M HEPES pH 7.0, 20% PEG 6000