5JZU
Aspartyl/Asparaginyl beta-hydroxylase (AspH)oxygenase and TPR domains in complex with manganese, N-oxalylglycine and factor X substrate peptide fragment (26mer)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04 |
Synchrotron site | Diamond |
Beamline | I04 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2013-09-26 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.83440 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 50.230, 90.810, 124.090 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 62.045 - 2.500 |
R-factor | 0.1944 |
Rwork | 0.193 |
R-free | 0.22900 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5apa |
RMSD bond length | 0.004 |
RMSD bond angle | 0.742 |
Data reduction software | xia2 |
Data scaling software | xia2 |
Phasing software | PHASER |
Refinement software | PHENIX |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 62.045 | 2.560 |
High resolution limit [Å] | 2.500 | 2.500 |
Rmerge | 0.134 | 0.870 |
Number of reflections | 20354 | |
<I/σ(I)> | 14.6 | 3.2 |
Completeness [%] | 99.9 | 100 |
Redundancy | 12.9 | 13.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 277 | 100 mM Bis-tris propane, 20 mM sodium/potassium phosphate, 20% PEG 3350, 1 mM manganese chloride, 2 mM N-oxalylglycine, 1.65 mM factor X peptide, 18 mg/ml asph protein |