1R88

The crystal structure of Mycobacterium tuberculosis MPT51 (FbpC1)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-3
Synchrotron site	ESRF
Beamline	ID14-3
Temperature [K]	100
Detector technology	CCD
Collection date	2003-06-30
Detector	MARRESEARCH
Wavelength(s)	0.933
Spacegroup name	P 21 21 21
Unit cell lengths	59.900, 108.900, 109.800
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 1.700 *
R-factor	0.18954
Rwork	0.189
R-free	0.20500 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1dqz
RMSD bond length	0.006
RMSD bond angle	0.960 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	REFMAC (5.1.19)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.760
High resolution limit [Å]	1.700	1.700
Rmerge	0.077 *	0.489 *
Total number of observations	493963 *
Number of reflections	78268
<I/σ(I)>	22	3
Completeness [%]	99.7	99.9
Redundancy	6.2	5.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	4.6 *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG8000	8-10 (%(w/v))
2	1	reservoir	MPD	8-10 (%(v/v))
3	1	reservoir	isopropanol	2.5 (%(v/v))
4	1	reservoir	sodium acetate	200 (mM)	pH4.6
5	1	reservoir	sodium citrate	100 (mM)	pH5.0
6	1	drop	protein	70 (mg/ml)