4RL6

Crystal Structure of the Q04L03_STRP2 protein from Streptococcus pneumoniae. Northeast Structural Genomics Consortium Target SpR105

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	2013-11-05
Detector	MAR CCD 165 mm
Wavelength(s)	0.96761
Spacegroup name	P 21 21 21
Unit cell lengths	53.705, 120.845, 154.042
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.077 - 2.790
R-factor	0.18
Rwork	0.179
R-free	0.20400
Structure solution method	SAD
RMSD bond length	0.008
RMSD bond angle	1.567
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	AutoSol
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.900
High resolution limit [Å]	2.800	2.800
Rmerge	0.159	0.989
Number of reflections	48128
<I/σ(I)>	17.3	1.95
Completeness [%]	100.0	99.9
Redundancy	6.8	6.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	microbatch under parafin oil	7	277	Protein solution: 100mM NaCl, 5mM DTT, 0.02% NaN3, 5mM NADPH, 10mM Tris-HCl (pH 7.5). Crystallization solution: 40% PEG 4000, 0.1M lithium sulfate, 0.1M MOPS, pH 7.0, microbatch under parafin oil, temperature 277K