5CKL

Fic protein from Neisseria meningitidis (NmFic) mutant E156R 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	35.333, 50.538, 130.136
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	65.070 - 0.990
R-factor	0.1127
Rwork	0.112
R-free	0.12460
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3s6a
RMSD bond length	0.029
RMSD bond angle	2.200
Data reduction software	XDS
Data scaling software	Aimless (0.1.27)
Refinement software	REFMAC (5.8.0123)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	65.070	65.070	1.010
High resolution limit [Å]	0.990	5.420	0.990
Rmerge	0.032	0.013	0.611
Rpim	0.013	0.006	0.258
Total number of observations	839712	5653	39446
Number of reflections	129938
<I/σ(I)>	28.3	103.9	3.3
Completeness [%]	99.6	99.1	97.4
Redundancy	6.5	6.1	6.3
CC(1/2)	1.000	1.000	0.830

Crystallization Conditions

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