4OCY
Fab for methotrexate (unbound apo)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 17-ID |
Synchrotron site | APS |
Beamline | 17-ID |
Temperature [K] | 200 |
Detector technology | PIXEL |
Detector | PSI PILATUS 6M |
Spacegroup name | P 21 3 |
Unit cell lengths | 144.369, 144.369, 144.369 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 25.470 - 2.790 |
R-factor | 0.1835 |
Rwork | 0.182 |
R-free | 0.20580 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.010 |
RMSD bond angle | 1.300 |
Data scaling software | SCALA (3.3.16) |
Phasing software | MOLREP |
Refinement software | BUSTER-TNT (BUSTER 2.11.5) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 83.351 | 83.351 | 2.940 |
High resolution limit [Å] | 2.786 | 8.810 | 2.790 |
Rmerge | 0.078 | 0.540 | |
Total number of observations | 5469 | 25559 | |
Number of reflections | 25192 | ||
<I/σ(I)> | 10.4 | 6.9 | 1.3 |
Completeness [%] | 99.6 | 97.2 | 100 |
Redundancy | 7.1 | 6.6 | 7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 3.5 | Ammonium sulphate, citrate pH 3.5, VAPOR DIFFUSION |