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 |