3ZUK

CRYSTAL STRUCTURE OF MYCOBACTERIUM TUBERCULOSIS ZINC METALLOPROTEASE ZMP1 IN COMPLEX WITH INHIBITOR

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-1
Synchrotron site	ESRF
Beamline	ID14-1
Temperature [K]	100
Detector technology	CCD
Detector	ADSC CCD
Spacegroup name	P 21 21 2
Unit cell lengths	128.290, 198.770, 63.270
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 2.600
R-factor	0.17661
Rwork	0.175
R-free	0.24964
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1dmt
RMSD bond length	0.015
RMSD bond angle	1.516
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.740
High resolution limit [Å]	2.600	2.600
Rmerge	0.100	0.370
Number of reflections	48222
<I/σ(I)>	12.2	2.6
Completeness [%]	95.0	75.6
Redundancy	3.6	2.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		4.6		0.2 M AMMONIUM ACETATE, 0.1 M SODIUM ACETATE, PH 4.6, 30% PEG MME 2000