2W3Z
Structure of a Streptococcus mutans CE4 esterase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM14 |
| Synchrotron site | ESRF |
| Beamline | BM14 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Detector | MARRESEARCH |
| Spacegroup name | I 21 3 |
| Unit cell lengths | 128.306, 128.306, 128.306 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 15.000 - 1.450 |
| R-factor | 0.1647 |
| Rwork | 0.165 |
| R-free | 0.18530 |
| Structure solution method | SAD |
| Starting model (for MR) | NONE |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.707 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SHELXD |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 15.000 | 1.500 |
| High resolution limit [Å] | 1.450 | 1.450 |
| Rmerge | 0.040 | 0.290 |
| Number of reflections | 61316 | |
| <I/σ(I)> | 25.9 | 3.6 |
| Completeness [%] | 99.1 | 98.7 |
| Redundancy | 3.6 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 5.6 | 2.4 M NA/K PHOSPHATE, PH 5.6 |
