3ZQU
STRUCTURE OF A PROBABLE AROMATIC ACID DECARBOXYLASE
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-2 |
| Synchrotron site | ESRF |
| Beamline | ID14-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-11-29 |
| Detector | ADSC CCD |
| Spacegroup name | F 2 3 |
| Unit cell lengths | 141.770, 141.770, 141.770 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 81.850 - 1.500 |
| R-factor | 0.17258 |
| Rwork | 0.171 |
| R-free | 0.19493 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1sbz |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.928 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 81.850 | 1.580 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.070 | 0.490 |
| Number of reflections | 35844 | |
| <I/σ(I)> | 2.8 | |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 4.4 | 4.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.5 | 1.2 M AMMONIUM SULFATE, 200 MM NACL, AND 100 MM CACODYLATE AT PH 6.3 |
