4NAP

Crystal structure of a trap periplasmic solute binding protein from Desulfovibrio alaskensis G20 (DDE_0634), target EFI-510102, with bound d-tryptophan

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 31-ID
Synchrotron site	APS
Beamline	31-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2013-10-17
Detector	RAYONIX MX225HE
Wavelength(s)	0.9793
Spacegroup name	P 1 21 1
Unit cell lengths	50.117, 144.571, 96.389
Unit cell angles	90.00, 90.52, 90.00

Refinement procedure

Resolution	31.426 - 2.300
R-factor	0.1655
Rwork	0.163
R-free	0.21540
Structure solution method	SAD
RMSD bond length	0.014
RMSD bond angle	1.379
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.20)
Phasing software	HKL-3000
Refinement software	PHENIX (1.8.1_1168)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	144.571	144.571	2.320
High resolution limit [Å]	2.200	6.960	2.200
Rmerge	0.082	0.030	0.585
Total number of observations		10261	52660
Number of reflections	69245
<I/σ(I)>	11.7	20	1.3
Completeness [%]	99.6	92.9	100
Redundancy	5.3	4.9	5.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	298	Protein (50 mg/ml, 10 mM HEPES pH 7.5, 5 mM DTT, 10 mM D-TRYPTOPHAN); Reservoir (0.1 M Sodium Citrate, 20 %(v/v) iso-Propanol, 20 %(w/v) PEG 4000), VAPOR DIFFUSION, HANGING DROP, temperature 298K