3FS2
Crystal structure of 2-Dehydro-3-Deoxyphosphooctonate aldolase from Bruciella melitensis at 1.85A resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 4.2.2 |
| Synchrotron site | ALS |
| Beamline | 4.2.2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-10-13 |
| Detector | WESTBROOK NOIR |
| Wavelength(s) | 1.000 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 121.530, 75.640, 74.650 |
| Unit cell angles | 90.00, 126.00, 90.00 |
Refinement procedure
| Resolution | 19.170 - 1.850 |
| R-factor | 0.179 |
| Rwork | 0.176 |
| R-free | 0.22200 |
| Structure solution method | MR |
| Starting model (for MR) | pdb coordinate set 1fws monomer after sidechain adjustment with chainsaw |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.591 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0070) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.900 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmerge | 0.078 | 0.481 |
| Number of reflections | 45916 | |
| <I/σ(I)> | 10.22 | 2.6 |
| Completeness [%] | 97.7 | 87.1 |
| Redundancy | 3.5 | 2.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 290 | JCSG+ SCREEN D3: 100MM NA/K PHOSPHATE PH 6.2, 50% PEG 200, 200MM NACL, PH 5.5, VAPOR DIFFUSION, TEMPERATURE 290K, VAPOR DIFFUSION, SITTING DROP |
