3R12
Crystal structure of a Deoxyribose-phosphate aldolase (TM_1559) from THERMOTOGA MARITIMA at 1.75 A resolution
Replaces: 1O0YExperimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL9-1 |
| Synchrotron site | SSRL |
| Beamline | BL9-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2002-03-27 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.918370,0.977757 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 53.812, 51.818, 84.735 |
| Unit cell angles | 90.00, 95.23, 90.00 |
Refinement procedure
| Resolution | 47.226 - 1.750 |
| R-factor | 0.1548 |
| Rwork | 0.153 |
| R-free | 0.19150 |
| Structure solution method | MAD |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.380 |
| Data reduction software | XDS |
| Data scaling software | XSCALE (January 30) |
| Phasing software | SHELX |
| Refinement software | REFMAC (5.5.0110) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 47.226 | 1.810 | |
| High resolution limit [Å] | 1.750 | 3.760 | 1.750 |
| Rmerge | 0.087 | 0.040 | 0.527 |
| Number of reflections | 40637 | 4808 | 1523 |
| <I/σ(I)> | 10.91 | 27.4 | 1.5 |
| Completeness [%] | 86.2 | 98.4 | 33.7 |
| Redundancy | 3.56 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.2 | 293 | 25.0% 1,2-propanediol, 10.0% Glycerol, 5.0% PEG-3000, 0.1M Phosphate Citrate pH 4.2, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
