8Z7D

Structure of G9a in complex with compound 9a

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	2014-04-16
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1
Spacegroup name	P 1 21 1
Unit cell lengths	56.534, 77.474, 66.827
Unit cell angles	90.00, 90.57, 90.00

Refinement procedure

Resolution	37.846 - 1.581
R-factor	0.1595
Rwork	0.158
R-free	0.18330
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.034
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	1.610
High resolution limit [Å]	1.580	4.290	1.580
Rmerge	0.085	0.068	0.640
Rmeas	0.100	0.080	0.756
Rpim	0.052	0.042	0.400
Number of reflections	78028	4042	3826
<I/σ(I)>	9.8
Completeness [%]	99.2	99.9	97.9
Redundancy	3.6	3.6	3.5
CC(1/2)		0.981	0.757

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