4YW2
Crystal Structure of Streptococcus pneumoniae NanC, complex 6'SL
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-09-03 |
| Detector | RIGAKU SATURN 944+ |
| Wavelength(s) | 1.54178 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 100.646, 74.906, 113.000 |
| Unit cell angles | 90.00, 96.21, 90.00 |
Refinement procedure
| Resolution | 30.000 - 2.000 |
| R-factor | 0.1812 |
| Rwork | 0.180 |
| R-free | 0.20940 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2vw0 |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.488 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER (2.5.2) |
| Refinement software | REFMAC (5.8.0107) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 30.000 | 30.000 | 2.030 |
| High resolution limit [Å] | 2.000 | 5.420 | 2.000 |
| Rmerge | 0.109 | 0.042 | 0.476 |
| Total number of observations | 402378 | ||
| Number of reflections | 109231 | ||
| <I/σ(I)> | 9.8 | ||
| Completeness [%] | 96.6 | 98.5 | 91.3 |
| Redundancy | 3.7 | 3.6 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 298 | 16% PEG8000, 20% glycerol, 40mM monopotassium phosphate |
