4QHC

Structure of M.Tuberculosis Betalactamase (Blac) with inhibitor having novel mechanism

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	100
Detector technology	IMAGE PLATE
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	49.699, 68.330, 75.247
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	26.369 - 1.899
R-factor	0.1632
Rwork	0.158
R-free	0.20730
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.531
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHENIX
Refinement software	PHENIX ((phenix.refine: 1.8.1_1168))

Data quality characteristics

	Overall
Low resolution limit [Å]	27.000
High resolution limit [Å]	1.890
Number of reflections	20193

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		283	0.1 M Hepes, 2M NH4H2PO4, protein concentration: 12mgs/ml, VAPOR DIFFUSION, HANGING DROP, temperature 283K