2CDN
Crystal structure of Mycobacterium tuberculosis adenylate kinase complexed with two molecules of ADP and Mg
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2003-12-11 |
| Detector | ADSC CCD |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 36.544, 64.910, 39.773 |
| Unit cell angles | 90.00, 110.12, 90.00 |
Refinement procedure
| Resolution | 64.960 - 1.900 |
| R-factor | 0.172 |
| Rwork | 0.169 |
| R-free | 0.21400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1zip |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.651 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 31.400 | 2.000 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.086 | 0.344 |
| Number of reflections | 13286 | |
| <I/σ(I)> | 5.6 | 0.8 |
| Completeness [%] | 95.8 | 78.3 |
| Redundancy | 3.6 | 2.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.5 | 20% PEG4000, 0.1 M HEPES PH 6.5, 0.2 M NA ACETATE |
