7V6S

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	2020-03-27
Detector	ADSC QUANTUM 270
Wavelength(s)	0.9793
Spacegroup name	P 41 21 2
Unit cell lengths	59.835, 59.835, 133.777
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.340 - 1.883
R-factor	0.2151
Rwork	0.211
R-free	0.24880
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]	40.340	40.340	1.990
High resolution limit [Å]	1.880	5.600	1.880
Rmerge	0.241	0.083	1.154
Rmeas	0.254	0.088	1.216
Number of reflections	36945	891	3138
<I/σ(I)>	9.6	21.14	2.28
Completeness [%]	99.3	96.6	96.8
Redundancy	10.334	9.285	9.854
CC(1/2)	0.990	0.993	0.762

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION	9.1	290	0.2M sodium phosphate dibasic, 20% PEG 3350