5V3S
Crystal structure of IP-1A from Alcaligenes faecalis at 1.8A resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X4C |
| Synchrotron site | NSLS |
| Beamline | X4C |
| Temperature [K] | 80 |
| Detector technology | CCD |
| Collection date | 2013-01-19 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.97869 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 59.288, 34.419, 71.436 |
| Unit cell angles | 90.00, 96.54, 90.00 |
Refinement procedure
| Resolution | 27.990 - 1.800 |
| R-factor | 0.21873 |
| Rwork | 0.216 |
| R-free | 0.26987 |
| Structure solution method | SAD |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.899 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CRANK |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 40.000 |
| High resolution limit [Å] | 1.800 |
| Rmerge | 0.096 |
| Number of reflections | 26255 |
| <I/σ(I)> | 14.81 |
| Completeness [%] | 97.4 |
| Redundancy | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICROBATCH | 7 | 295 | 0.1M HEPES, pH=7.0 10% PEG 1000 0.1M Sodium Malonate |
