4CQB
The reaction mechanism of the N-isopropylammelide isopropylaminohydrolase AtzC: insights from structural and mutagenesis studies
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-10-23 |
| Detector | ADSC CCD |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 106.474, 86.733, 114.175 |
| Unit cell angles | 90.00, 104.69, 90.00 |
Refinement procedure
| Resolution | 40.400 - 1.840 |
| R-factor | 0.19325 |
| Rwork | 0.191 |
| R-free | 0.22904 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2qt3 |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.777 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.300 | 1.940 |
| High resolution limit [Å] | 1.840 | 1.840 |
| Rmerge | 0.140 | 0.700 |
| Number of reflections | 85852 | |
| <I/σ(I)> | 10.7 | 2.7 |
| Completeness [%] | 99.3 | 95.1 |
| Redundancy | 7.4 | 6.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.7 | 12 MG/ML PROTEIN WITH A RESERVOIR OF 2.3 M MALONATE AT PH 6.0, 100 MM HEPES PH 7.7; DROPS WERE 200 NL PLUS 200 NL |
