3WDE

Mutant N-terminal domain of Mycobacterium tuberculosis ClpC1, F80Y, bound to Cyclomarin A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X10SA
Synchrotron site	SLS
Beamline	X10SA
Temperature [K]	298
Detector technology	PIXEL
Collection date	2011-02-01
Detector	PSI PILATUS 6M
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	34.020, 58.860, 63.990
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 1.440
R-factor	0.1293
Rwork	0.127
R-free	0.17670
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3wdc
RMSD bond length	0.014
RMSD bond angle	1.818
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	1.440
Number of reflections	23876

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	291	0.2M ammonium acetate, 20% polyethylene glycol 3350, 0.025M magnesium formate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K