7SSK

Human P300 complexed with a glycine-based inhibitor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-BM
Synchrotron site	APS
Beamline	22-BM
Temperature [K]	93
Detector technology	CCD
Collection date	2018-02-13
Detector	RAYONIX MX300-HS
Wavelength(s)	1
Spacegroup name	P 1 21 1
Unit cell lengths	63.878, 48.772, 109.353
Unit cell angles	90.00, 101.18, 90.00

Refinement procedure

Resolution	44.440 - 2.360
R-factor	0.189
Rwork	0.187
R-free	0.23500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3biy
RMSD bond length	0.009
RMSD bond angle	1.554
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]	100.000	100.000	2.390
High resolution limit [Å]	2.350	6.380	2.350
Rmerge	0.109	0.072	0.587
Rmeas	0.128	0.085	0.693
Rpim	0.066	0.044	0.366
Total number of observations	93875
Number of reflections	26521	1416	1271
<I/σ(I)>	8.3
Completeness [%]	99.1	99.4	98.4
Redundancy	3.5	3.5	3.3
CC(1/2)		0.986	0.740

Crystallization Conditions

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