4EKZ

Crystal structure of reduced hPDI (abb'xa')

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	2011-10-03
Detector	APEX II CCD
Wavelength(s)	0.979
Spacegroup name	P 21 21 21
Unit cell lengths	38.453, 100.586, 123.767
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.574 - 2.510
R-factor	0.2375
Rwork	0.236
R-free	0.25020
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3uem
RMSD bond length	0.010
RMSD bond angle	1.217
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASES
Refinement software	PHENIX ((phenix.refine: 1.7.3_928))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.590
High resolution limit [Å]	2.500	2.500
Number of reflections	16370
Completeness [%]	95.9
Redundancy	3.1	3.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION	9.8	294	25% PEG 3350, 0.1M Bis-Tris, 0.2M ammonium acetate, pH 9.8, EVAPORATION, temperature 294K