5A1F
Crystal structure of the catalytic domain of PLU1 in complex with N-oxalylglycine.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I02 |
Synchrotron site | Diamond |
Beamline | I02 |
Temperature [K] | 287 |
Detector technology | CCD |
Collection date | 2015-03-06 |
Detector | ADSC QUANTUM 315 |
Spacegroup name | P 65 2 2 |
Unit cell lengths | 141.855, 141.855, 152.129 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 50.010 - 2.100 |
R-factor | 0.2006 |
Rwork | 0.199 |
R-free | 0.22501 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4gio |
RMSD bond length | 0.011 |
RMSD bond angle | 1.503 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | CCP4I |
Refinement software | REFMAC (5.8.0107) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 19.770 | 2.180 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.090 | 0.090 |
Number of reflections | 52970 | |
<I/σ(I)> | 19.14 | 2.42 |
Completeness [%] | 100.0 | 100 |
Redundancy | 11.5 | 11.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 8 | 0.1M HEPES PH 8.0, 0.8M POTASSIUM PHOSPHATE-DIBASIC, 0.8M SODIUM PHOSPHATE MONOBASIC |