1AKV
D95A SEMIQUINONE FLAVODOXIN MUTANT FROM D. VULGARIS
Experimental procedure
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE X31 |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | X31 |
| Temperature [K] | 120 |
| Detector technology | IMAGE PLATE |
| Collection date | 1995-08 |
| Detector | MARRESEARCH |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 52.610, 52.610, 138.340 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 10.000 - 2.000 |
| R-factor | 0.201 * |
| Rwork | 0.210 |
| R-free | 0.25700 * |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.014 |
| RMSD bond angle | 0.045 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | PROLSQ |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 10.000 | 1.980 |
| High resolution limit [Å] | 1.960 | 1.960 |
| Rmerge | 0.440 | 0.337 * |
| Total number of observations | 49473 * | |
| Number of reflections | 13307 | |
| <I/σ(I)> | 17.5 | 1.7 |
| Completeness [%] | 99.5 * | 96.5 * |
| Redundancy | 4.8 | 2.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion * | 7 | 60-70% AMMONIUM SULFATE, 100MM TRIS-HCL, PH=7.0. |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 12-15 (mg/ml) | |
| 2 | 1 | drop | ammonium sulfate | 30-35 (%sat) | |
| 3 | 1 | drop | Tris-HCl | 50 (mM) | or 25mM sodium phosphate containing 1mM EDTA |
| 4 | 1 | reservoir | ammonium sulfate | 60-70 (%sat) |
