4PBQ

CRYSTAL STRUCTURE OF A TRAP PERIPLASMIC SOLUTE BINDING PROTEIN FROM HAEMOPHILUS INFLUENZAE RdAW (HICG_00826, TARGET EFI-510123) WITH BOUND L-GULONATE

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	2014-03-21
Detector	RAYONIX MX225HE
Wavelength(s)	0.9793
Spacegroup name	C 1 2 1
Unit cell lengths	133.449, 76.537, 112.977
Unit cell angles	90.00, 114.01, 90.00

Refinement procedure

Resolution	37.111 - 1.650
R-factor	0.1493
Rwork	0.147
R-free	0.18370
Structure solution method	SAD
RMSD bond length	0.011
RMSD bond angle	1.179
Data reduction software	MOSFLM
Data scaling software	Aimless (0.1.27)
Refinement software	PHENIX ((phenix.refine: 1.8.1_1168))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	103.200	103.200	1.680
High resolution limit [Å]	1.650	9.040	1.650
Rmerge	0.106	0.061	0.719
Rpim	0.055	0.033	0.382
Total number of observations	564467	2954	26012
Number of reflections	121100
<I/σ(I)>	10.6	21.4	2.1
Completeness [%]	96.9	90	95.3
Redundancy	4.7	4	4.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	298	Protein (23.86 mg/ml, 10 mM HEPES pH 7.5, 5 mM DTT, 10 mM L-Gulonate); Reservoir (0.2 M Ammonium Sulfate, 0.1 M MES pH 6.5, 30 %(w/v) PEG 5000 MME); Cryoprotection (80% Reservoir + 20% diethylene glycol)