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 |