7ZJZ

catalytically non active S532A mutant of oligopeptidase B from S. proteomaculans

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL41XU
Synchrotron site	SPring-8
Beamline	BL41XU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-10-10
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.7
Spacegroup name	P 21 21 21
Unit cell lengths	72.860, 100.450, 108.920
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.440 - 1.900
R-factor	0.2
Rwork	0.197
R-free	0.24990
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6TF5
RMSD bond length	0.009
RMSD bond angle	1.578
Data reduction software	iMOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.000
High resolution limit [Å]	1.900	1.900
Rmerge	0.115	0.570
Rmeas	0.124	0.610
Number of reflections	63693	9183
<I/σ(I)>	3.3271	2.02
Completeness [%]	100.0	100
Redundancy	7.15	2.27

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	COUNTER-DIFFUSION		277	200 mM Lithium sulfate, 100 mM Bis-Tris pH 5.5, 23% PEG 3350