6H2A

Structure of S70A BlaC from Mycobacterium tuberculosis obtained from crystals produced in the presence of DTT

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID30B
Synchrotron site	ESRF
Beamline	ID30B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-11-07
Detector	DECTRIS EIGER R 4M
Wavelength(s)	0.9677
Spacegroup name	P 43 21 2
Unit cell lengths	108.864, 108.864, 260.577
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.730 - 2.540
R-factor	0.22945
Rwork	0.228
R-free	0.25634
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2gdn
RMSD bond length	0.014
RMSD bond angle	1.757
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0189)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.730	2.630
High resolution limit [Å]	2.540	2.540
Rpim	0.034	0.490
Number of reflections	714649	71706
<I/σ(I)>	18.9	1.7
Completeness [%]	99.9	99.9
Redundancy	13.6	14.1
CC(1/2)	0.999	0.701

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293.15	0.1 M Tris-HCl, pH 7.0 1.7 M NH4H2PO4