9K2A

Structure of ClpP from Staphylococcus aureus in complex with ZY27

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-11-28
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.987
Spacegroup name	P 1 21 1
Unit cell lengths	94.416, 190.263, 96.201
Unit cell angles	90.00, 117.82, 90.00

Refinement procedure

Resolution	95.130 - 2.190
R-factor	0.21551
Rwork	0.214
R-free	0.24437
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.260
Data reduction software	autoPROC
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	95.130	30.000	2.280
High resolution limit [Å]	2.190	4.730	2.200
Rmerge	0.086	0.051	0.290
Rmeas	0.097	0.057	0.342
Rpim	0.044	0.024	0.178
Number of reflections	149067	15295	14541
<I/σ(I)>	7.4
Completeness [%]	97.9	99.5	95.8
Redundancy	4.2	5.6	3.1
CC(1/2)	0.991	0.996	0.801

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		289	0.01 M Iron chloride hexahydate, 0.1 M Sodium citrate tribasic dihydrate, pH 5.6,10% Jeffamine