5DRP

Structure of the AaLpxC/LPC-023 Complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2015-02-06
Detector	RAYONIX MX300-HS
Wavelength(s)	1.0
Spacegroup name	P 1
Unit cell lengths	45.657, 50.419, 61.730
Unit cell angles	80.26, 71.71, 88.90

Refinement procedure

Resolution	34.808 - 1.889
R-factor	0.1578
Rwork	0.156
R-free	0.19150
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3p3c
RMSD bond length	0.006
RMSD bond angle	0.991
Data scaling software	HKL-2000
Phasing software	PHASER (2.5.6)
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.870
High resolution limit [Å]	1.840	4.990	1.840
Rmerge	0.053	0.053	0.311
Rmeas	0.060	0.060	0.354
Rpim	0.028	0.028	0.168
Total number of observations	191641
Number of reflections	43313
<I/σ(I)>	8.7
Completeness [%]	97.6	99.4	95.9
Redundancy	4.4	4.4	4.4
CC(1/2)		0.991	0.926

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293	0.18 M ammonium chloride, 11.8% PEG3350, 10% 1,3-propanediol.