4NSQ

Crystal structure of PCAF

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	2010-05-24
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.97916
Spacegroup name	P 43
Unit cell lengths	65.570, 65.570, 187.622
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.256 - 2.311
R-factor	0.2288
Rwork	0.229
R-free	0.27510
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.014
RMSD bond angle	1.105
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASES
Refinement software	PHENIX ((phenix.refine: 1.7.1_743))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	2.540	2.350
High resolution limit [Å]	2.310	2.490	2.310
Number of reflections	30459
Completeness [%]	99.3	97.6	57.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7.4	298	0.2M Lithium Sulfate, 0.1M HEPES pH7.4, 1.2M Ammonium Sulfate and 10mM Trimethylamine HCl, VAPOR DIFFUSION, temperature 298K