1QQQ
CRYSTAL STRUCTURE ANALYSIS OF SER254 MUTANT OF ESCHERICHIA COLI THYMIDYLATE SYNTHASE
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 138 |
| Detector technology | CCD |
| Collection date | 1999-02-22 |
| Detector | APS-1 |
| Spacegroup name | I 21 3 |
| Unit cell lengths | 132.437, 132.437, 132.437 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 6.000 - 1.500 |
| R-factor | 0.224 |
| Rwork | 0.224 |
| R-free | 0.23800 |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.500 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS (0.5) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 6.000 | 1.550 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.066 | 0.300 |
| Number of reflections | 515160 | 4008 * |
| <I/σ(I)> | 15.4 | |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 6.8 | 8.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 * | 298 | 58% SATURATED AMMONIUM SULFATE, 20 MM 2-MERCAPTOETHANOL, 100 MM TRIS HCL, pH 8.8, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | EDTA | 1 (mM) | |
| 2 | 1 | drop | 2-mercaptoethanol | 10 (mM) | |
| 3 | 1 | drop | ammonium sulfate | 100 (mM) | |
| 4 | 1 | drop | potassium phosphate | 20 (mM) | |
| 5 | 1 | drop | TS | 20 (mg/ml) | |
| 6 | 1 | reservoir | ammonium sulfate | 58 (%sat) | |
| 7 | 1 | reservoir | 2-mercaptoethanol | 20 (mM) | |
| 8 | 1 | reservoir | Tris-HCl | 100 (mM) |
