7V6U

Crystal structure of bacterial peptidase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 7A (6B, 6C1)
Synchrotron site	PAL/PLS
Beamline	7A (6B, 6C1)
Temperature [K]	100
Detector technology	CCD
Collection date	2020-05-22
Detector	ADSC QUANTUM 270
Wavelength(s)	0.9793
Spacegroup name	C 1 2 1
Unit cell lengths	82.871, 76.825, 58.207
Unit cell angles	90.00, 134.66, 90.00

Refinement procedure

Resolution	41.432 - 2.144
R-factor	0.2026
Rwork	0.198
R-free	0.24770
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2k1g
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	41.432	41.432	2.270
High resolution limit [Å]	2.140	6.380	2.140
Rmerge	0.103	0.043	0.493
Rmeas	0.122	0.051	0.606
Total number of observations	48953
Number of reflections	13739	561	1813
<I/σ(I)>	9.86	24.38	2.18
Completeness [%]	95.0	96.4	78.5
Redundancy	3.563	3.414	2.783
CC(1/2)	0.995	0.996	0.942

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION	7	290	0.2M DL-Malic acid, 20% PEG 3350