6NAY

Crystal structure of Neisseria meningitidis ClpP protease E31A+E58A activated double mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E+ SUPERBRIGHT
Temperature [K]	100
Detector technology	CCD
Collection date	2017-06-16
Detector	RIGAKU SATURN A200
Wavelength(s)	1.0
Spacegroup name	P 1
Unit cell lengths	98.707, 119.840, 127.861
Unit cell angles	90.02, 89.99, 90.02

Refinement procedure

Resolution	46.046 - 2.199
R-factor	0.2138
Rwork	0.214
R-free	0.24480
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5dkp
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX ((1.13_2998))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.240
High resolution limit [Å]	2.199	2.199
Rmerge	0.052	0.356
Number of reflections	283478	13879
<I/σ(I)>	14.5
Completeness [%]	95.4
Redundancy	1.9
CC(1/2)	0.997	0.769

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	294	0.2 M potassium thiocyanate 40% MPD