3SE5

Fic protein from NEISSERIA MENINGITIDIS mutant delta8 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 1 21 1
Unit cell lengths	73.945, 65.031, 75.995
Unit cell angles	90.00, 107.08, 90.00

Refinement procedure

Resolution	15.000 - 1.700
R-factor	0.16
Rwork	0.159
R-free	0.19700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2g03
RMSD bond length	0.011
RMSD bond angle	1.317
Data reduction software	MOSFLM
Data scaling software	SCALA (CCP4_3.3.16 2010/01/06)
Phasing software	PHASER
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	37.030	37.030	1.790
High resolution limit [Å]	1.700	5.380	1.700
Rmerge	0.069	0.030	0.370
Total number of observations		9835	36210
Number of reflections	73865
<I/σ(I)>	9.8144	20.86	1.97
Completeness [%]	97.7	98.25	95.43
Redundancy	4	4.03	3.46

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	293	44% w/v PEG 600, 0.1M Na-citrate, pH 5.6, vapor diffusion, hanging drop, temperature 293K