4LM3
Crystal structure of PDE10A2 with fragment ZT464
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-ID |
Synchrotron site | APS |
Beamline | 22-ID |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2011-07-16 |
Detector | MAR scanner 300 mm plate |
Wavelength(s) | 1.0 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 51.893, 82.146, 155.085 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 38.770 - 1.490 |
R-factor | 0.19982 |
Rwork | 0.199 |
R-free | 0.22354 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2our |
RMSD bond length | 0.011 |
RMSD bond angle | 1.275 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.5.0072) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.540 |
High resolution limit [Å] | 1.490 | 1.490 |
Rmerge | 0.060 | 0.578 |
Number of reflections | 108380 | |
<I/σ(I)> | 24.6 | 2.7 |
Completeness [%] | 99.5 | 98.2 |
Redundancy | 5.9 | 5.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 277 | 18% PEG4450, 0.2m calcium acetate, 50mM BME, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K |