2GAZ

Mycobacterial lipoglycan presentation by CD1d

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.1
Synchrotron site	ALS
Beamline	8.2.1
Temperature [K]	100
Detector technology	CCD
Collection date	2005-07-06
Detector	ADSC QUANTUM 210
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	41.835, 110.757, 107.396
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.340 - 2.610
R-factor	0.21566
Rwork	0.212
R-free	0.28032
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2akr
RMSD bond length	0.015
RMSD bond angle	1.745
Data reduction software	HKL-2000
Data scaling software	CCP4 ((TRUNCATE))
Phasing software	MOLREP
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.690
High resolution limit [Å]	2.600	2.600
Number of reflections	15322
<I/σ(I)>	7.9	1.8
Completeness [%]	97.0	98.5
Redundancy	3	3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	277	20% Peg 4000, 0.1M sodium citrate, 10% n-propanol, pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 277.0K