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 |