5KWA

complete structure of the Mycobacterium tuberculosis proteasomal ATPase Mpa

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	CCD
Collection date	2013-11-05
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9791
Spacegroup name	P 3 2 1
Unit cell lengths	111.931, 111.931, 196.072
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	43.450 - 2.900
R-factor	0.22974
Rwork	0.228
R-free	0.26883
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3m9b 3whk
RMSD bond length	0.008
RMSD bond angle	1.309
Data reduction software	iMOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.450	3.060
High resolution limit [Å]	2.900	2.900
Rmerge	0.112	0.703
Number of reflections	32237
<I/σ(I)>	7
Completeness [%]	100.0	100
Redundancy	10.6	10.5
CC(1/2)	0.984	0.506

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.2	288	100mM Tris-HCl, 20%PEG400, 200mM MgCl2, 5mM ATPrS