6PBU

ClpP1 from Mycobacterium smegmatis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	CCD
Collection date	2013-11-29
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9537
Spacegroup name	P 42 21 2
Unit cell lengths	169.617, 169.617, 114.219
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.149 - 2.000
R-factor	0.1795
Rwork	0.178
R-free	0.21460
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2cby
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	BALBES
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.030
High resolution limit [Å]	2.000	5.430	2.000
Rmerge	0.122	0.035	1.181
Rmeas	0.127	0.036	1.238
Rpim	0.035	0.010	0.364
Total number of observations	1387039
Number of reflections	111562	5987	5412
<I/σ(I)>	8.5
Completeness [%]	99.7	99.7	98.3
Redundancy	12.4	14.1	11
CC(1/2)		1.000	0.813

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293	2.1 - 3.4 M sodium malonate pH 6.6 - 6.8