3KJK

Crystal structure of NMB1025, a member of YjgF protein family, from Neisseria meningitidis (monoclinic crystal form)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2005-10-24
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.54
Spacegroup name	C 1 2 1
Unit cell lengths	117.032, 78.275, 181.871
Unit cell angles	90.00, 103.62, 90.00

Refinement procedure

Resolution	30.000 - 2.290
R-factor	0.2226
Rwork	0.221
R-free	0.25907
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3kjj
RMSD bond length	0.007
RMSD bond angle	0.966
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.5.0102)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.370
High resolution limit [Å]	2.290	2.290
Rmerge	0.165	0.996
Number of reflections	69756
<I/σ(I)>	15	2.2
Completeness [%]	96.4	90.6
Redundancy	6.3	5.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	294	di-Potassium Hydrogen Phosphate 1.2 M, Sodium di-Hydrogen Phosphate 0.6 M, VAPOR DIFFUSION, SITTING DROP, temperature 294K, pH 7.0