2D5W

The crystal structure of oligopeptide binding protein from Thermus thermophilus HB8 complexed with pentapeptide

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL44B2
Synchrotron site	SPring-8
Beamline	BL44B2
Temperature [K]	100
Detector technology	CCD
Collection date	2004-09-30
Detector	ADSC QUANTUM 210
Wavelength(s)	0.900, 0.9788, 0.9793
Spacegroup name	P 21 21 2
Unit cell lengths	100.600, 109.200, 114.600
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	15.000 - 1.300
Rwork	0.186
R-free	0.19600
Structure solution method	MAD
RMSD bond length	0.005
RMSD bond angle	1.303
Data reduction software	TRUNCATE
Data scaling software	CCP4 ((TRUNCATE))
Phasing software	SOLVE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.290
High resolution limit [Å]	1.250	1.250
Number of reflections	346050
<I/σ(I)>	31	6.3
Completeness [%]	100.0	100
Redundancy	10.1	6.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	20% PEG 3350, 0.15M lithium nitrate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	20% PEG 3350, 0.15M lithium nitrate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	20% PEG 3350, 0.15M lithium nitrate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K