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 |