4R01

Crystal structure of SP1627, a putative NADH-flavin reductase, from Streptococcus pneumoniae TIGR4

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2014-06-10
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.5418
Spacegroup name	C 1 2 1
Unit cell lengths	160.030, 82.960, 43.790
Unit cell angles	90.00, 105.56, 90.00

Refinement procedure

Resolution	29.577 - 2.400
R-factor	0.1893
Rwork	0.185
R-free	0.24180
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3h2s
RMSD bond length	0.005
RMSD bond angle	0.787
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	BALBES
Refinement software	PHENIX ((phenix.refine: 1.9_1692))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.190
High resolution limit [Å]	2.150	2.150
Rmerge	0.051	0.570
Number of reflections	29142
<I/σ(I)>	25.55	2.15
Completeness [%]	96.8	96.7
Redundancy	2.7	2.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	298	2 M Ammonium Sulfate, 0.1 M Bis-Tris Propane, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 298K