8Z7C

Structure of G9a in complex with compound 7i

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL26B2
Synchrotron site	SPring-8
Beamline	BL26B2
Temperature [K]	100
Detector technology	CCD
Collection date	2014-07-11
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.000
Spacegroup name	P 1 21 1
Unit cell lengths	56.452, 77.349, 66.442
Unit cell angles	90.00, 90.21, 90.00

Refinement procedure

Resolution	33.424 - 1.520
R-factor	0.1755
Rwork	0.174
R-free	0.19600
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.992
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.9_1690)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.550
High resolution limit [Å]	1.520	4.130	1.520
Rmerge	0.054	0.032	0.530
Rmeas	0.074	0.044	0.707
Rpim	0.050	0.030	0.464
Number of reflections	172858	8659	8436
<I/σ(I)>	12.3	18.8	1.4
Completeness [%]	99.7	99.9	98
Redundancy	1.9	2	1.8
CC(1/2)		0.992	0.703

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.1M Bis-Tris propane (pH~7.5), 0.2M Sodium Formate or Fluoride, 10% Ethylene Glycol, ~25% PEG3350