5CGL

Fic protein from Neisseria meningitidis (NmFic) mutant E102R in dimeric form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-07-13
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.0000
Spacegroup name	P 2 21 21
Unit cell lengths	48.557, 81.905, 97.525
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.763 - 2.350
R-factor	0.2006
Rwork	0.199
R-free	0.23160
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3s6a
RMSD bond length	0.002
RMSD bond angle	0.532
Data scaling software	Aimless (0.1.27)
Phasing software	PHASER (2.5.1)
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	97.530	97.530	2.430
High resolution limit [Å]	2.350	9.100	2.350
Rmerge	0.075	0.027	0.461
Rpim	0.030	0.012	0.182
Total number of observations	120108	2170	12042
Number of reflections	16845
<I/σ(I)>	19.8	53.6	4.6
Completeness [%]	99.9	99.5	100
Redundancy	7.1	6.3	7.4
CC(1/2)	0.999	0.999	0.926

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	293.15	8% (v/v) Tacsimate pH 6.0, 20% (w/v) PEG 33505