3S6A

Fic protein from NEISSERIA MENINGITIDIS in complex with AMPPNP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	CCD
Collection date	2011-04-14
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.0000
Spacegroup name	P 64 2 2
Unit cell lengths	148.960, 148.960, 75.799
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	15.000 - 2.200
R-factor	0.19
Rwork	0.188
R-free	0.21300
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	2g03
RMSD bond length	0.012
RMSD bond angle	1.244
Data reduction software	MOSFLM
Data scaling software	SCALA (CCP4_3.3.16 2010/01/06)
Phasing software	FFT
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	65.350	65.350	2.270
High resolution limit [Å]	2.150	6.800	2.150
Rmerge	0.093	0.020	0.470
Total number of observations		12661	32385
Number of reflections	27218
<I/σ(I)>	18.5111	21.41	1.6
Completeness [%]	99.1	99.91	93.93
Redundancy	13.65	12.69	8.81

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	277	5% 2-propanol, 0.1M MES, 0.1M Ca-acetate, pH 6.0, vapor diffusion, hanging drop, temperature 277K