4L5C
Methylthioadenosine phosphorylase from Schistosoma mansoni in complex with adenine in space group P212121
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I02 |
Synchrotron site | Diamond |
Beamline | I02 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-07-07 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9795 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 102.580, 135.710, 145.050 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 59.219 - 2.075 |
R-factor | 0.1926 |
Rwork | 0.191 |
R-free | 0.22180 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4lji |
RMSD bond length | 0.003 |
RMSD bond angle | 0.683 |
Data reduction software | xia2 |
Data scaling software | SCALA (3.3.16) |
Phasing software | PHASER |
Refinement software | PHENIX (1.8.2_1309) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 59.219 | 59.219 | 2.130 |
High resolution limit [Å] | 2.075 | 9.280 | 2.075 |
Rmerge | 0.041 | 0.695 | |
Total number of observations | 10016 | 65934 | |
Number of reflections | 122620 | ||
<I/σ(I)> | 9.8 | 13.4 | 1.1 |
Completeness [%] | 99.8 | 99.1 | 99.6 |
Redundancy | 7.2 | 6.6 | 7.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 291 | 100mM Bris-tris or Mes, 14-18% PEG3350, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K |