5HFT

Crystal structure of HpxW

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2012-02-18
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.979
Spacegroup name	P 21 21 21
Unit cell lengths	70.671, 124.093, 156.781
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.651 - 2.646
R-factor	0.2567
Rwork	0.254
R-free	0.29770
Structure solution method	SAD
RMSD bond length	0.008
RMSD bond angle	1.049
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SOLVE
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.690
High resolution limit [Å]	2.640	7.160	2.640
Rmerge	0.113	0.039	0.522
Total number of observations	138140
Number of reflections	39286
<I/σ(I)>	6.6
Completeness [%]	96.0	96.5	83.6
Redundancy	3.5	3.5	3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1
2	VAPOR DIFFUSION, HANGING DROP		288	12-20% PEG 3350, 0.2-0.7 M ammonium nitrate