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 |