2GL0
Structure of PAE2307 in complex with adenosine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID29 |
Synchrotron site | ESRF |
Beamline | ID29 |
Temperature [K] | 110 |
Detector technology | CCD |
Collection date | 2005-09-28 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 0.97934 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 76.862, 109.825, 112.484 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.330 - 2.250 |
Rwork | 0.170 |
R-free | 0.24500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1wvq |
RMSD bond length | 0.027 |
RMSD bond angle | 2.297 |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 112.509 | 2.370 |
High resolution limit [Å] | 2.250 | 2.250 |
Rmerge | 0.071 | 0.238 |
Total number of observations | 19415 | |
Number of reflections | 45062 | 6169 |
<I/σ(I)> | 7.8 | 3 |
Completeness [%] | 98.4 | 94.6 |
Redundancy | 4 | 3.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.3 | 291 | 21% (w/v) MPEG 5000, 0.2M AMPSO/KOH, pH 8.3, VAPOR DIFFUSION, SITTING DROP, temperature 291K |