5NKT

FimA wt from E. coli

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X6A
Synchrotron site	NSLS
Beamline	X6A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-08-21
Detector	DECTRIS PILATUS 2M-F
Wavelength(s)	1.00002
Spacegroup name	H 3 2
Unit cell lengths	86.990, 86.990, 162.710
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.874 - 1.500
R-factor	0.1588
Rwork	0.158
R-free	0.18810
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5lp9
RMSD bond length	0.004
RMSD bond angle	0.655
Data reduction software	XDS (Oct 15, 2015 BUILT=20151231)
Data scaling software	XSCALE (Oct 15, 2015 BUILT=20151231)
Phasing software	PHASER
Refinement software	PHENIX (1.11.1-2575)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.874	29.874	1.600
High resolution limit [Å]	1.500	25.000	1.500
Rmerge	0.052	0.028	1.252
Rmeas	0.055	0.030	1.361
Total number of observations	354327
Number of reflections	37772	6	6226
<I/σ(I)>	20.1	45.06	1.58
Completeness [%]	98.9	42.9	93.8
Redundancy	9.381	5.667	6.571
CC(1/2)	0.999	1.000	0.668

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	2.6	277	0.1 M Sodium Malonate, pH 2.6, 45% ammonium sulphate, 23 mg/ml of protein 1:1 mixture with reservoir