5NCY
mPI3Kd IN COMPLEX WITH inh1
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-1 |
Synchrotron site | ESRF |
Beamline | ID23-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-05-13 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.976 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 140.989, 64.549, 116.013 |
Unit cell angles | 90.00, 103.59, 90.00 |
Refinement procedure
Resolution | 49.860 - 1.900 |
R-factor | 0.224 |
Rwork | 0.222 |
R-free | 0.26400 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | Internal Model |
RMSD bond length | 0.010 |
RMSD bond angle | 0.980 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | BUSTER (2.11.6) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.970 |
High resolution limit [Å] | 1.900 | 1.900 |
Number of reflections | 77199 | 7062 |
<I/σ(I)> | 13.6 | |
Completeness [%] | 96.7 | 90.8 |
Redundancy | 3.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.2 | 293 | Condition A1 |