3L0P
Crystal structures of Iron containing Adenylate kinase from Desulfovibrio gigas
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-2 |
| Synchrotron site | ESRF |
| Beamline | ID14-2 |
| Detector technology | CCD |
| Collection date | 2008-06-28 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 1.7266 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 38.800, 119.160, 146.710 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.250 - 3.000 |
| R-factor | 0.189 |
| Rwork | 0.186 |
| R-free | 0.25200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.817 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA (3.2.25) |
| Phasing software | DM (6.0) |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 92.495 | 59.580 | 3.170 |
| High resolution limit [Å] | 3.000 | 9.500 | 3.000 |
| Rmerge | 0.078 | 0.043 | 0.246 |
| Rmeas | 0.099 | 0.060 | 0.320 |
| Rpim | 0.048 | 0.030 | 0.160 |
| Total number of observations | 25156 | 840 | 3637 |
| Number of reflections | 6444 | ||
| <I/σ(I)> | 15 | 32.1 | 5.1 |
| Completeness [%] | 91.3 | 85.3 | 92 |
| Redundancy | 3.9 | 3.9 | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 277 | 0.2M tartrate Na/K, 0.1M MES (pH 6.5), 20% PEG 2000, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
