5BMM
Src in complex with DNA-templated macrocyclic inhibitor MC25b
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X29A |
Synchrotron site | NSLS |
Beamline | X29A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-05-09 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.075 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 60.830, 118.610, 42.650 |
Unit cell angles | 90.00, 90.08, 90.00 |
Refinement procedure
Resolution | 42.650 - 2.500 |
R-factor | 0.22 |
Rwork | 0.218 |
R-free | 0.24600 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3u4w |
RMSD bond length | 0.003 |
RMSD bond angle | 0.831 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 42.650 | 2.590 |
High resolution limit [Å] | 2.500 | 2.500 |
Rmerge | 0.252 | 0.670 |
Number of reflections | 17499 | |
<I/σ(I)> | 8.2 | 3 |
Completeness [%] | 83.9 | 26.6 |
Redundancy | 7.4 | 6.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 298 | 14% PEG 5000 MME, 0.3 M NaH2PO |