9RJE

X-ray structure of Chlamydomonas reinhardtii Histone Deacetylase 11 (HDAC11) in complex with hexanoic acid

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2025-04-25
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9184
Spacegroup name	I 2 2 2
Unit cell lengths	80.660, 90.040, 102.970
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.070 - 1.060
R-factor	0.1425
Rwork	0.142
R-free	0.16490
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.785
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.21.1-5286)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.100
High resolution limit [Å]	1.040	1.040
Rmerge	0.150	1.135
Number of reflections	174843	26066
<I/σ(I)>	13.72	2.13
Completeness [%]	97.9	90.7
Redundancy	12.48
CC(1/2)	0.999	0.741

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.6	293.15	Precipitant: 0.1 M Bis-Tris, 0.2 M sodium nitrate, 15% PEG 3350, 15% glycerol, pH 6.6 SEC Buffer:25 mM Tris-HCl, 140 mM NaCl, 100 mM KCl, 3% glycerol, pH 8 cryoprotection: 20% glycerol in precipitant