1AWD
FERREDOXIN [2FE-2S] OXIDIZED FORM FROM CHLORELLA FUSCA
Experimental procedure
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE X11 |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | X11 |
| Temperature [K] | 103 |
| Detector technology | IMAGE PLATE |
| Collection date | 1997-04-26 |
| Detector | MARRESEARCH |
| Spacegroup name | I 4 3 2 |
| Unit cell lengths | 112.440, 112.440, 112.440 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 10.000 - 1.400 |
| R-factor | 0.1464 |
| R-free | 0.18110 |
| Structure solution method | ANOMALOUS DISPERSION TO FIND THE TWO FE ATOMS USING 2.3 ANGSTROM CU ROTATING ANODE/MULTIWIRE DATA. THE REMAINING ATOMS WERE THEN FOUND BY ROTATING A FRAGMENT (FROM ENTRY 1FXL) ABOUT THE IRON ATOMS TO MINIMIZE THE CORRELATION COEFFICIENT BETWEEN F(OBS) AND F(CALC). |
| RMSD bond length | 0.012 |
| RMSD bond angle | 0.030 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SHELXL-97 |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 26.500 | 1.500 |
| High resolution limit [Å] | 1.400 | 1.400 |
| Rmerge | 0.047 | 0.511 |
| Total number of observations | 351520 * | |
| Number of reflections | 24157 | |
| <I/σ(I)> | 25 | 3.42 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 14.5 | 10.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, sitting drop * | 8 | 1.3 M SODIUM CITRATE, 0.1 M GLYCINE AT PH 8.0 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 19 (%) | |
| 2 | 1 | drop | sodium citrate | 1.1 (M) | |
| 3 | 1 | drop | glycine | 0.1 (M) | |
| 4 | 1 | drop | Tris-HCl | 20 (mM) | |
| 5 | 1 | reservoir | sodium citrate | 1.3 (M) | |
| 6 | 1 | reservoir | glycine | 1.1 (M) |
