4N6C
Crystal Structure of the B1RZQ2 protein from Streptococcus pneumoniae. Northeast Structural Genomics Consortium (NESG) Target SpR36.
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 | 2013-10-03 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.97907 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 62.960, 36.078, 82.163 |
| Unit cell angles | 90.00, 100.00, 90.00 |
Refinement procedure
| Resolution | 36.946 - 1.548 |
| R-factor | 0.201 |
| Rwork | 0.201 |
| R-free | 0.21900 |
| Structure solution method | SAD |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.428 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | AutoSol |
| Refinement software | PHENIX (1.7.2_869) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.610 |
| High resolution limit [Å] | 1.548 | 1.550 |
| Rmerge | 0.081 | 0.688 |
| Number of reflections | 100218 | |
| <I/σ(I)> | 24.4 | 2.1 |
| Completeness [%] | 96.7 | 94.2 |
| Redundancy | 3.7 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Microbatch crystallization under oil | 10 | 291 | 40% PEG 8000, 0.1 M sodium bromide, 0.1 M CAPS, pH 10.0, Microbatch crystallization under oil, temperature 291K |
