7V6T

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 21 21 21
Unit cell lengths	39.224, 63.720, 104.316
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.387 - 1.495
R-factor	0.1932
Rwork	0.192
R-free	0.21340
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]	33.387	33.387	1.590
High resolution limit [Å]	1.490	4.460	1.490
Rmerge	0.082	0.042	0.720
Rmeas	0.088	0.046	0.776
Number of reflections	79540	1759	6318
<I/σ(I)>	16.06	40.15	2.95
Completeness [%]	97.5	97.3	92
Redundancy	7.206	6.154	7.118
CC(1/2)	0.999	0.998	0.878

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION	5.1	290	0.2M ammonium citrate dibasic, 20% PEG 3350