4JFZ
Structure of phosphoserine (pSAb) scaffold bound to pSer peptide
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.3.1 |
Synchrotron site | ALS |
Beamline | 8.3.1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-10-31 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.11587 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 43.504, 94.870, 120.583 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 74.560 - 1.750 |
R-factor | 0.156 |
Rwork | 0.154 |
R-free | 0.19930 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.010 |
RMSD bond angle | 1.315 |
Data reduction software | MOSFLM |
Data scaling software | SCALA (3.3.20) |
Phasing software | PHENIX |
Refinement software | PHENIX (1.8_1069) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 120.583 | 74.560 | 1.840 |
High resolution limit [Å] | 1.750 | 5.530 | 1.750 |
Rmerge | 0.026 | 0.713 | |
Total number of observations | 6702 | 28428 | |
Number of reflections | 51060 | ||
<I/σ(I)> | 7.4 | 23.9 | 1 |
Completeness [%] | 99.6 | 99.7 | 99.5 |
Redundancy | 3.9 | 3.7 | 3.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.8 | 278 | 23% PEG1500, 0.1M PCB, pH 6.8, VAPOR DIFFUSION, HANGING DROP, temperature 278K |