3I44
Crystal structure of aldehyde dehydrogenase from bartonella henselae at 2.0A resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-B |
| Synchrotron site | APS |
| Beamline | 23-ID-B |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2009-02-27 |
| Detector | MAR scanner 300 mm plate |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 94.000, 168.200, 69.310 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.770 - 2.000 |
| R-factor | 0.175 |
| Rwork | 0.173 |
| R-free | 0.21500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1bi9 modified by ccp4 program chainsaw |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.371 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0088) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.050 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.084 | 0.561 |
| Number of reflections | 37273 | |
| <I/σ(I)> | 15.66 | 3.2 |
| Completeness [%] | 99.2 | 100 |
| Redundancy | 6.6 | 6.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICROFLUDIC MICROBATCH IN A CRYSTAL CARD | 290 | JCSG+ SCREEN #70: 1.1M NAMALONATE, 0.5% JEFFAMINE, 100MM HEPES, PH 7.5, BAHEA.00886.A AT 49.8 MG/ML, MICROFLUDIC MICROBATCH IN A CRYSTAL CARD, temperature 290K |
