2HS4

T. maritima PurL complexed with FGAR and AMPPCP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 8-BM
Synchrotron site	APS
Beamline	8-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2005-02-11
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9795
Spacegroup name	P 21 21 21
Unit cell lengths	58.356, 71.469, 138.332
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.970 - 2.700
R-factor	0.191
Rwork	0.191
R-free	0.26600
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.400
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.970	2.870
High resolution limit [Å]	2.700	2.700
Number of reflections	15163
Completeness [%]	92.3	78

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.3	298	17% PEG 4000, 4% isopropanol, 0.1M HEPES, pH 7.3, VAPOR DIFFUSION, HANGING DROP, temperature 298K