6PMD

Structure of ClpP from Staphylococcus aureus in complex with Acyldepsipeptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-BM
Synchrotron site	APS
Beamline	22-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2012-11-30
Detector	RAYONIX MX300HE
Wavelength(s)	1
Spacegroup name	P 1 21 1
Unit cell lengths	94.377, 125.972, 145.603
Unit cell angles	90.00, 93.77, 90.00

Refinement procedure

Resolution	38.800 - 2.210
R-factor	0.2009
Rwork	0.200
R-free	0.22720
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3sta
RMSD bond length	0.009
RMSD bond angle	1.433
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0222)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.260
High resolution limit [Å]	2.210	6.020	2.220
Rmerge	0.134	0.063	0.552
Rmeas	0.150	0.070	0.636
Rpim	0.065	0.030	0.309
Number of reflections	166305	8500	7872
<I/σ(I)>	8.2
Completeness [%]	99.7	99.7	95.1
Redundancy	5.2	5.3	4
CC(1/2)		0.996	0.749

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.5	291.15	0.1 M NaOAc pH 4.5, 18-35% MPD, 0.02M CaCl2