2HPG

The crystal structure of a thermophilic TRAP periplasmic binding protein

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2005-03-14
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97167, 0.97934, 0.97920
Spacegroup name	P 65 2 2
Unit cell lengths	119.260, 119.260, 429.100
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	30.000 - 1.900
R-factor	0.215
Rwork	0.213
R-free	0.23900
Structure solution method	MAD
RMSD bond length	0.011
RMSD bond angle	1.249
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	SHELXS
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	103.282	30.010	2.000
High resolution limit [Å]	1.900	6.010	1.900
Rmerge	0.094	0.039	0.405
Total number of observations		47653	171983
Number of reflections	142555
<I/σ(I)>	6.2	13.9	1.9
Completeness [%]	100.0	99.2	100
Redundancy	9.6	9.5	8.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.2	290	0.1M Phosphate/Citrate pH4.2, 2.5M Ammonium Sulfate , VAPOR DIFFUSION, HANGING DROP, temperature 290K