3LMF

Crystal Structure of Nmul_A1745 protein from Nitrosospira multiformis, Northeast Structural Genomics Consortium Target NmR72

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X4A
Synchrotron site	NSLS
Beamline	X4A
Temperature [K]	100
Detector technology	CCD
Collection date	2010-01-20
Detector	ADSC QUANTUM 4
Wavelength(s)	0.97912
Spacegroup name	P 64 2 2
Unit cell lengths	94.417, 94.417, 72.688
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.800 - 2.300
R-factor	0.21
Rwork	0.209
R-free	0.24700
Structure solution method	SAD
RMSD bond length	0.006
RMSD bond angle	0.900
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	SHELX (then SOLVE/RESOLVE)
Refinement software	CNS (1.2 &XtalView)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.690
High resolution limit [Å]	2.300	2.300
Rmerge	0.137	0.544
Number of reflections	11150
<I/σ(I)>	28	10.5
Completeness [%]	99.9	100
Redundancy	21.6	23.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Microbatch, under oil	8	277	Protein solution: 100mM NaCl, 5mM DTT, 0.02% NaN3, 10mM Tris-HCl (pH 7.5), Reservoir solution: 0.1M Tris (pH 8), 12% PEG 20K, and 0.1M KH2PO4, Microbatch, under oil, temperature 277K