7SME

p107 pocket domain complexed with HDAC1 peptide

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	2021-03-05
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.033
Spacegroup name	C 1 2 1
Unit cell lengths	99.910, 75.170, 71.737
Unit cell angles	90.00, 109.86, 90.00

Refinement procedure

Resolution	46.980 - 2.640
R-factor	0.2266
Rwork	0.224
R-free	0.27710
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4yos
RMSD bond length	0.013
RMSD bond angle	2.075
Data reduction software	xia2
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	PHENIX ((1.17.1_3660: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.980	2.760
High resolution limit [Å]	2.640	2.640
Rmerge	0.180	0.640
Number of reflections	14817	1937
<I/σ(I)>	7.8	3.8
Completeness [%]	99.6
Redundancy	7.8
CC(1/2)	0.990	0.890

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277	100 mM MES, pH 6.5, 4% PEG400, 1.6 M ammonium sulfate