3TT7

Structure of ClpP from Bacillus subtilis in complex with DFP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL44XU
Synchrotron site	SPring-8
Beamline	BL44XU
Temperature [K]	100
Detector technology	CCD
Collection date	2011-07-04
Detector	BRUKER SMART 6500
Wavelength(s)	0.9000
Spacegroup name	C 1 2 1
Unit cell lengths	122.337, 152.000, 110.067
Unit cell angles	90.00, 113.21, 90.00

Refinement procedure

Resolution	37.119 - 2.558
R-factor	0.2195
Rwork	0.216
R-free	0.28000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ktg
RMSD bond length	0.009
RMSD bond angle	1.324
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	PHENIX (1.7_650)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.590
High resolution limit [Å]	2.550	6.920	2.550
Rmerge	0.063	0.031	0.455
Number of reflections	52506
<I/σ(I)>	19
Completeness [%]	88.3	88	83
Redundancy	3	3.7	2.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	hanging drop	5.6	295	0.1M bicine/Trizma base(pH 8.5), 0.03M magnesium chloride, 0.03M calcium chloride, 10%(w/v) PEG 4000, 20%(v/v) glycerol, hanging drop, temperature 295K