1VPL

Crystal structure of ABC transporter ATP-binding protein (TM0544) from Thermotoga maritima at 2.10 A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	CCD
Collection date	2004-04-05
Detector	ADSC QUANTUM 315
Spacegroup name	P 31 2 1
Unit cell lengths	90.590, 90.590, 72.238
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	39.230 - 2.100
R-factor	0.17372
Rwork	0.171
R-free	0.21581
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ji0
RMSD bond length	0.017
RMSD bond angle	1.667
Data reduction software	MOSFLM
Data scaling software	SCALA (4.2))
Phasing software	MOLREP
Refinement software	REFMAC (5.2.0001)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.230	2.150
High resolution limit [Å]	2.100	2.100
Number of reflections	20216
<I/σ(I)>	13.6	2
Completeness [%]	99.2	92.1
Redundancy	8	4.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION,SITTING DROP,NANODROP	4	277	0.8M (NH4)2SO4, 0.1M Citrate pH 4.0, VAPOR DIFFUSION,SITTING DROP,NANODROP, temperature 277K