4ZPJ

ABC transporter substrate-binding protein from Sphaerobacter thermophilus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2013-02-23
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9792
Spacegroup name	P 21 21 21
Unit cell lengths	46.818, 88.531, 99.397
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.300 - 2.240
R-factor	0.1737
Rwork	0.171
R-free	0.22220
Structure solution method	SAD
RMSD bond length	0.017
RMSD bond angle	1.752
Data reduction software	HKL-3000
Data scaling software	HKL-2000
Phasing software	HKL-3000
Refinement software	REFMAC (5.8.0073)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.280
High resolution limit [Å]	2.240	6.080	2.240
Rmerge	0.108	0.068	0.763
Rmeas	0.117	0.074	0.851
Rpim	0.045	0.029	0.371
Total number of observations	138486
Number of reflections	20481
<I/σ(I)>	9.8		2.1
Completeness [%]	100.0	99.5	99.9
Redundancy	6.8	6	5
CC(1/2)		0.996	0.698

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	289	0.2 M zinc acetate, 0.1 M imidazole-HCl buffer, 20% 1,4-butanediol