3BID

Crystal structure of the NMB1088 protein from Neisseria meningitidis. Northeast Structural Genomics Consortium target MR91

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X4C
Synchrotron site	NSLS
Beamline	X4C
Temperature [K]	100
Detector technology	CCD
Collection date	2007-07-30
Detector	MAR CCD 165 mm
Wavelength(s)	0.97908
Spacegroup name	P 1
Unit cell lengths	34.743, 60.040, 64.370
Unit cell angles	89.39, 90.81, 103.97

Refinement procedure

Resolution	19.810 - 2.700
R-factor	0.241
Rwork	0.241
R-free	0.29000
Structure solution method	SAD
RMSD bond length	0.009
RMSD bond angle	1.100
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SHELXS
Refinement software	CNS (1.2)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.800
High resolution limit [Å]	2.700	2.700
Rmerge	0.066	0.269
Number of reflections	27651
<I/σ(I)>	11.1	2.41
Completeness [%]	92.0	87.6
Redundancy	1.7	1.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4	291	Protein solution: 10 mM Tris-HCl pH 7.5, 100 mM NaCl, 5 mM DTT. Reservoir solution: 100 mM Na3 Citrate pH 4.0, 40% PEG 1000, 100 mM (NH4)H2PO4, VAPOR DIFFUSION, HANGING DROP, temperature 291K