5Y51

Crystal structure of PytH_H230A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	100
Detector technology	CCD
Collection date	2013-10-15
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9793
Spacegroup name	P 42 21 2
Unit cell lengths	168.375, 168.375, 123.858
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.816 - 2.300
R-factor	0.272
Rwork	0.269
R-free	0.33000
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.145
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX ((dev_2247: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.420
High resolution limit [Å]	2.300	2.300
Number of reflections	75180	11027
<I/σ(I)>	8	1.9
Completeness [%]	95.4	97
Redundancy	7.7	7.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	ammonium sulfate