5I8G

CBP in complex with Cpd637 ((R)-4-methyl-6-(1-methyl-3-(1-methyl-1H-pyrazol-4-yl)-1H-indazol-5-yl)-1,3,4,5-tetrahydro-2H-benzo[b][1,4]diazepin-2-one)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	CCD
Collection date	2015-11-07
Detector	ADSC QUANTUM 4
Wavelength(s)	0.987
Spacegroup name	C 1 2 1
Unit cell lengths	92.110, 60.060, 54.120
Unit cell angles	90.00, 102.71, 90.00

Refinement procedure

Resolution	31.012 - 1.410
R-factor	0.1899
Rwork	0.189
R-free	0.21050
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.964
Data reduction software	HKL-2000
Data scaling software	xia2
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	38.670	38.670	1.450
High resolution limit [Å]	1.410	6.310	1.410
Rmerge	0.033	0.034	0.558
Number of reflections	91820
<I/σ(I)>	2
Completeness [%]	99.6	98.2	99.4
Redundancy	3.3	3.3	3.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	277	containing 0.1 M Bis-Tris pH 8, 0.2 M sodium thiocyanate 19-23% PEG 3350