6HFV

Mycobacterium tuberculosis DprE1 in complex with CMP2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-09-25
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.0725
Spacegroup name	P 1 21 1
Unit cell lengths	78.080, 84.430, 80.450
Unit cell angles	90.00, 103.00, 90.00

Refinement procedure

Resolution	57.400 - 2.050
R-factor	0.17755
Rwork	0.176
R-free	0.20844
RMSD bond length	0.007
RMSD bond angle	1.152
Data scaling software	SCALA
Refinement software	REFMAC (5.8.0073)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	57.400	2.160
High resolution limit [Å]	2.050	2.050
Number of reflections	63093
<I/σ(I)>	14.3
Completeness [%]	98.8
Redundancy	3.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH MODE		298	20mM in 30% PPG, 100mM Imidazole, pH 7.4