5JQY
Aspartyl/Asparaginyl beta-hydroxylase (AspH)oxygenase and TPR domains in complex with manganese, N-oxalylglycine and factor X substrate peptide fragment(39mer-4Ser)
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) | 0.9763 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 50.170, 89.540, 123.550 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.484 - 1.990 |
| R-factor | 0.1921 |
| Rwork | 0.191 |
| R-free | 0.20530 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5apa |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.954 |
| Data reduction software | xia2 |
| Data scaling software | xia2 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((dev_2386: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 123.550 | 2.040 |
| High resolution limit [Å] | 1.990 | 1.990 |
| Rmerge | 0.061 | 0.654 |
| Number of reflections | 39058 | |
| <I/σ(I)> | 28.8 | 4.5 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 13.1 | 13.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 277 | 100mM SPG buffer, 25% PEG 1500, 2mM NOG, 1mM MnCl2, 18mg/ml protein |
