9K2C

Structure of ClpP from Staphylococcus aureus in complex with ZY1

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-10-12
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.988
Spacegroup name	P 1 21 1
Unit cell lengths	94.696, 126.010, 145.797
Unit cell angles	90.00, 93.91, 90.00

Refinement procedure

Resolution	29.900 - 1.980
R-factor	0.20647
Rwork	0.205
R-free	0.22708
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.934
Data reduction software	autoPROC
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0415)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	30.000	2.050
High resolution limit [Å]	1.980	4.260	1.980
Rmerge	0.093	0.073	0.302
Rmeas	0.106	0.083	0.359
Rpim	0.050	0.038	0.191
Total number of observations	856784
Number of reflections	230193	23366	22697
<I/σ(I)>	10.6
Completeness [%]	97.3	97.5	96.3
Redundancy	3.7	4.6	3
CC(1/2)	0.986	0.985	0.814

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		289	0.2 M Calcium chloride dihydrate, 0.1 M Sodium acetate trihydate pH4.6, 30% MPD