9CG1

DUF512 protein from Clostridium sporogenes

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-06-22
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.03317
Spacegroup name	P 1 21 1
Unit cell lengths	56.670, 59.302, 81.059
Unit cell angles	90.00, 109.82, 90.00

Refinement procedure

Resolution	46.810 - 1.680
R-factor	0.16
Rwork	0.158
R-free	0.19800
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.073
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((1.19.2_4158: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.710
High resolution limit [Å]	1.680	4.560	1.680
Rmerge	0.058	0.042	0.524
Rmeas	0.063	0.046	0.572
Rpim	0.025	0.018	0.226
Number of reflections	85548	2972	2844
<I/σ(I)>	11
Completeness [%]	99.9	99.9	99.2
Redundancy	6.4	6.3	6.2
CC(1/2)	0.994	0.993	0.905

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		296	100 mM sodium malonate, imidazole, and boric acid buffer (in the molar ratios 2:3:3), pH 5.0, 25% (w/v) PEG1500