7SS8

Human P300 complexed with a proline-based inhibitor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	93
Detector technology	PIXEL
Collection date	2018-06-06
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1
Spacegroup name	P 1 21 1
Unit cell lengths	63.855, 49.503, 110.602
Unit cell angles	90.00, 102.27, 90.00

Refinement procedure

Resolution	38.810 - 2.150
R-factor	0.2011
Rwork	0.200
R-free	0.22970
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4bhw
RMSD bond length	0.009
RMSD bond angle	1.439
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.090
High resolution limit [Å]	2.050	5.560	2.050
Rmerge	0.066	0.021	0.668
Rmeas	0.080	0.025	0.842
Rpim	0.044	0.014	0.504
Total number of observations	124653
Number of reflections	41313	2155	1864
<I/σ(I)>	10.7
Completeness [%]	96.2	95.5	87.5
Redundancy	3	3.2	2.2
CC(1/2)		0.987	0.533

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6.5	277	20% PEG3350, 0.1 M MES pH 6.5