3OPW

Crystal Structure of the Rph1 catalytic core

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	2010-01-03
Detector	RAYONIX MX225HE
Wavelength(s)	1.0000
Spacegroup name	P 64
Unit cell lengths	108.258, 108.258, 146.055
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	39.450 - 2.500
R-factor	0.2081
Rwork	0.206
R-free	0.25240
Structure solution method	SAD
RMSD bond length	0.002
RMSD bond angle	0.566
Data reduction software	HKL-2000
Data scaling software	Diffraction (Anisotropy Server)
Phasing software	PHASES
Refinement software	PHENIX (1.6.2_432)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.590
High resolution limit [Å]	2.500	2.500
Rmerge	0.140
Number of reflections	15010
<I/σ(I)>	5
Completeness [%]	98.7	97.5
Redundancy	7.9	3.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	277	0.2M ammonium sulfate, 0.1M HEPES, 7% PFG 4000, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K