2QE0
Thioacylenzyme Intermediate of GAPN from S. Mutans, New Data Integration and Refinement.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM30A |
| Synchrotron site | ESRF |
| Beamline | BM30A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2002-06-21 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.98040 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 142.470, 155.210, 113.080 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.780 - 2.190 |
| R-factor | 0.1889 |
| Rwork | 0.184 |
| R-free | 0.22990 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2esd |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.285 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | MOLREP (9.4.09) |
| Refinement software | BUSTER-TNT (2.1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.780 | 2.330 |
| High resolution limit [Å] | 2.190 | 2.190 |
| Rmerge | 0.087 | 0.393 |
| Number of reflections | 124421 | |
| <I/σ(I)> | 17.4 | 3.9 |
| Completeness [%] | 99.7 | 99.5 |
| Redundancy | 7.1 | 4.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 |
