5LP9

FimA wt from S. flexneri

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X10SA
Synchrotron site	SLS
Beamline	X10SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-06-15
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.800
Spacegroup name	P 1 21 1
Unit cell lengths	24.140, 53.780, 50.290
Unit cell angles	90.00, 100.34, 90.00

Refinement procedure

Resolution	26.890 - 0.886
R-factor	0.11027657669
Rwork	0.110
R-free	0.12618
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2M5G model 1
RMSD bond length	0.007
RMSD bond angle	1.042
Data reduction software	XDS (Oct 15, 2015 BUILT=20151231)
Data scaling software	XDS (Oct 15, 2015 BUILT=20151231)
Phasing software	PHASER (2.5.7)
Refinement software	PHENIX (1.12_2829)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	26.890	26.890	1.000
High resolution limit [Å]	0.850	25.000	0.850
Rmerge	0.038	0.050	0.265
Rmeas	0.042	0.061	0.300
Total number of observations	482856
Number of reflections	89042	1	21038
<I/σ(I)>	20.03	35.51	4.46
Completeness [%]	80.3	33.3	49.4
Redundancy	5.423	3	4.361
CC(1/2)	0.999		0.937

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	3	293	0.1M Sodium Malonate, pH 3.0, 40% ammonium sulphate saturated at 277 K, 23 mg/ml of protein, 1:1 mixture