7SZQ

Human P300 complexed with an azaindazole 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	2019-02-05
Detector	RAYONIX MX300-HS
Wavelength(s)	1
Spacegroup name	P 43
Unit cell lengths	62.444, 62.444, 103.658
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.150 - 2.800
R-factor	0.1726
Rwork	0.169
R-free	0.23480
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4pzs
RMSD bond length	0.008
RMSD bond angle	1.033
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.850
High resolution limit [Å]	2.800	2.800
Rmerge	0.063	0.835
Number of reflections	9897	510
<I/σ(I)>	30.2	2.29
Completeness [%]	100.0	100
Redundancy	7.7	7.6
CC(1/2)	1.000	0.819

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	9.5	277	30% PEG400, 0.1 M CHES pH 9.5