4OZD

Crystal structure of PdSP15a

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2010-04-19
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97918
Spacegroup name	P 21 21 21
Unit cell lengths	61.558, 79.730, 232.294
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.141 - 2.950
R-factor	0.2031
Rwork	0.200
R-free	0.26250
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.093
Phasing software	HKL-3000
Refinement software	PHENIX ((phenix.refine: 1.8.4_1496))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	3.000
High resolution limit [Å]	2.950	8.000	2.950
Rmerge	0.106	0.060	0.749
Total number of observations	128620
Number of reflections	24313
<I/σ(I)>	12.8
Completeness [%]	97.7	92.4	99.7
Redundancy	5.3	4.2	5.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	298	10 % PEG 6000, 0.1M MES pH 6