8J9D

Crystal structure of M61 peptidase (bestatin-bound) from Xanthomonas campestris

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	RRCAT INDUS-2 BEAMLINE PX-BL21
Synchrotron site	RRCAT INDUS-2
Beamline	PX-BL21
Temperature [K]	100
Detector technology	CCD
Collection date	2017-03-02
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.979490
Spacegroup name	P 1 21 1
Unit cell lengths	105.008, 95.196, 144.489
Unit cell angles	90.00, 104.47, 90.00

Refinement procedure

Resolution	44.360 - 1.900
R-factor	0.1722
Rwork	0.171
R-free	0.19090
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.727
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.600	1.930
High resolution limit [Å]	1.900	1.900
Rmerge	0.066	0.395
Rmeas	0.080	0.495
Rpim	0.045	0.293
Number of reflections	215479	9862
<I/σ(I)>	13.4	2.3
Completeness [%]	99.4	92.4
Redundancy	2.9
CC(1/2)	0.997	0.828

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH MODE	8.5	294	0.1M Tris-Cl pH 8.5, 0.1M NaCl, 6-11% (w/v) PEG 4000