2W92
Structure of a Streptococcus pneumoniae family 85 glycoside hydrolase, Endo-D, in complex with NAG-thiazoline.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Temperature [K] | 113 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 134.880, 59.040, 96.500 |
| Unit cell angles | 90.00, 110.25, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.650 |
| R-factor | 0.149 |
| Rwork | 0.147 |
| R-free | 0.18700 |
| Structure solution method | OTHER |
| Starting model (for MR) | NONE |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.550 |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.740 |
| High resolution limit [Å] | 1.650 | 1.650 |
| Rmerge | 0.050 | 0.442 |
| Number of reflections | 79465 | |
| <I/σ(I)> | 16.6 | 2.2 |
| Completeness [%] | 97.7 | 95.4 |
| Redundancy | 3.5 | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 291 | Reservoir: 20% (v/v) polyethylene glycol 3350, 0.2M MgCl2, 0.1M Tri-sodium citrate, pH 5.0. |
