5CVR

Crystal structure of FNR of A. fischeri in a partially degraded form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-02-01
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.97242
Spacegroup name	I 4 2 2
Unit cell lengths	75.270, 75.270, 212.430
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.635 - 2.600
R-factor	0.193
Rwork	0.191
R-free	0.23730
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	FIXK2
RMSD bond length	0.009
RMSD bond angle	1.152
Data reduction software	XDS
Data scaling software	Aimless (0.5.2)
Phasing software	PHENIX
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.580	47.580	2.690
High resolution limit [Å]	2.600	10.070	2.600
Rmerge	0.091	0.023	2.407
Rpim	0.027	0.007	0.699
Total number of observations	126067	2273	12722
Number of reflections	9847
<I/σ(I)>	21.1	100.1	1.3
Completeness [%]	99.9	98.9	99.9
Redundancy	12.8	10.7	13.6
CC(1/2)	1.000	1.000	0.586

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6.4	298	MPD, MES, LiCL, anaerobic