3L0S
Crystal structures of Zinc, Cobalt and Iron containing Adenylate kinase from Gram-negative bacteria Desulfovibrio gigas
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Detector technology | CCD |
| Collection date | 2007-06-22 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 1.6064 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 131.430, 39.490, 94.200 |
| Unit cell angles | 90.00, 109.31, 90.00 |
Refinement procedure
| Resolution | 44.460 - 2.000 |
| R-factor | 0.193 |
| Rwork | 0.190 |
| R-free | 0.25400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.021 |
| RMSD bond angle | 1.902 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA (3.2.25) |
| Phasing software | PHASER (2.1) |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 88.891 | 44.460 | 2.110 |
| High resolution limit [Å] | 2.000 | 6.320 | 2.000 |
| Rmerge | 0.076 | 0.032 | 0.426 |
| Rmeas | 0.105 | 0.050 | 0.610 |
| Rpim | 0.056 | 0.030 | 0.320 |
| Total number of observations | 105651 | 3602 | 14814 |
| Number of reflections | 30472 | ||
| <I/σ(I)> | 13.3 | 37.2 | 2.1 |
| Completeness [%] | 97.2 | 99.7 | 94.6 |
| Redundancy | 3.5 | 3.4 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 277 | 0.2 M tartrate Na/K, 0.1 M MES (pH 6.5) and 20% PEG 2K, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
