7KLD

Crystal Structure of an Essential Ribosomal Processing Protease Prp from S. aureus in complex with a covalently linked product Peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-09-26
Detector	DECTRIS EIGER R 4M
Wavelength(s)	1.54184
Spacegroup name	I 1 2 1
Unit cell lengths	53.482, 66.556, 93.446
Unit cell angles	90.00, 103.44, 90.00

Refinement procedure

Resolution	29.310 - 2.250
R-factor	0.2472
Rwork	0.245
R-free	0.27890
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4peo
RMSD bond length	0.020
RMSD bond angle	1.835
Data reduction software	CrysalisPro (40.64.42a)
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.310	2.300
High resolution limit [Å]	2.250	2.250
Rmerge	0.148	0.602
Rmeas	0.155	0.632
Rpim	0.047	0.190
Number of reflections	15213	14933
<I/σ(I)>	3.84	4.4
Completeness [%]	95.2	100
Redundancy	10.8	10.9
CC(1/2)	0.997	0.972

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	Protein sample: 10 - 20 mg/ml in 10mM Hepes (pH 7.5), 0.1M NaCl, 0.3mM TCEP, 3.3mM Triss (pH 7.5), 0.5% beta-octylglucoside, <4% glycerol