5CMT

Fic protein from Neisseria meningitidis (NmFic) mutant E156R Y183F in dimeric form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-02-11
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.8000
Spacegroup name	P 2 21 21
Unit cell lengths	35.375, 50.697, 129.778
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.220 - 0.990
R-factor	0.1354
Rwork	0.134
R-free	0.15530
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5ckl
RMSD bond length	0.025
RMSD bond angle	2.088
Data reduction software	XDS
Data scaling software	Aimless (0.5.9)
Phasing software	PHASER (2.5.7)
Refinement software	REFMAC (5.8.0123)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.220	47.220	1.010
High resolution limit [Å]	0.990	5.420	0.990
Rmerge	0.040	0.016	0.600
Rpim	0.017	0.008	0.254
Total number of observations	805863	5554	36542
Number of reflections	126436
<I/σ(I)>	23.4	75.2	3
Completeness [%]	96.8	98.5	89.6
Redundancy	6.4	6	6.4
CC(1/2)	0.999	0.992	0.783

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH MODE	7.8	277.15	10 mM Tris pH 7.8, 100 mM NaCl