2R1F
Crystal structure of predicted aminodeoxychorismate lyase from Escherichia coli
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 31-ID |
| Synchrotron site | APS |
| Beamline | 31-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-08-20 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.97958 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 92.783, 92.783, 181.931 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.210 |
| R-factor | 0.22388 |
| Rwork | 0.223 |
| R-free | 0.25708 |
| Structure solution method | SAD |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.079 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | SHELX |
| Refinement software | REFMAC (5.3.0034) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.290 |
| High resolution limit [Å] | 2.210 | 2.210 |
| Rmerge | 0.078 | 0.680 |
| Number of reflections | 40557 | |
| <I/σ(I)> | 5.9 | 1.2 |
| Completeness [%] | 98.9 | 91.4 |
| Redundancy | 6.2 | 4.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 294 | 100mM HEPES pH 7.5, 1M Sodium acetate, 50mM Cadmium sulfate, VAPOR DIFFUSION, SITTING DROP, temperature 294K |
