9K2B

Structure of ClpP from Staphylococcus aureus in complex with ZY18

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	2019-10-27
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.988
Spacegroup name	P 1 21 1
Unit cell lengths	95.293, 127.033, 145.900
Unit cell angles	90.00, 95.43, 90.00

Refinement procedure

Resolution	29.680 - 2.450
R-factor	0.19628
Rwork	0.194
R-free	0.23289
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	1.107
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]	145.250	30.000	2.540
High resolution limit [Å]	2.450	5.270	2.450
Rmerge	0.120	0.090	0.311
Rmeas	0.134	0.098	0.367
Rpim	0.058	0.039	0.189
Number of reflections	121201	12828	11066
<I/σ(I)>	4
Completeness [%]	95.6	99.5	87.9
Redundancy	4.2	5.8	2.9
CC(1/2)	0.979	0.993	0.701

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