4OHN

Crystal structure of an ABC uptake transporter substrate binding protein from Streptococcus pneumoniae with Bound Histidine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-D
Synchrotron site	APS
Beamline	21-ID-D
Temperature [K]	100
Detector technology	CCD
Collection date	2013-01-01
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.28756
Spacegroup name	P 61
Unit cell lengths	87.125, 87.125, 70.949
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	33.310 - 1.370
R-factor	0.1377
Rwork	0.137
R-free	0.15270
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2q2c
RMSD bond length	0.009
RMSD bond angle	1.230
Data reduction software	MOSFLM
Data scaling software	Aimless (0.1.29)
Phasing software	MOLREP
Refinement software	PHENIX (1.8.4_1496)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	37.120	37.120	1.420
High resolution limit [Å]	1.370	5.310	1.370
Rmerge	0.080	0.052	0.683
Total number of observations		13090	41332
Number of reflections	64061
<I/σ(I)>	16.4	35.6	2.7
Completeness [%]	99.7	99.8	98
Redundancy	10.8	11.3	6.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	298	PEG 8K 30% w/v Na Acetate 0.2M Bis-Tris 0.1M, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K