1F0N

MYCOBACTERIUM TUBERCULOSIS ANTIGEN 85B

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	CCD
Collection date	2000-01-14
Detector	ADSC
Spacegroup name	P 31 2 1
Unit cell lengths	73.210, 73.210, 92.544
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.000 - 1.800
R-factor	0.1941
Rwork	0.194
R-free	0.27600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	ANTIGEN 85C RONNING ET AL. (2000) NAT.STRUCT.BIOL. 7(2) 141-146.
RMSD bond length	0.012
RMSD bond angle	0.034
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.860
High resolution limit [Å]	1.800	1.800
Rmerge	0.112	0.186
Number of reflections	26822
<I/σ(I)>	12.7	6
Completeness [%]	97.6	97.4
Redundancy	4.8	5.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	294	Ammonium sulfate, MES, MPD, pH 6, VAPOR DIFFUSION, HANGING DROP, temperature 21K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	ammonium sulfate	0.6-0.7 (M)
2	1	reservoir	MPD	22.5 (%)
3	1	reservoir	Na-MES	0.05 (M)