7TUR
Joint X-ray/neutron structure of aspastate aminotransferase (AAT) in complex with pyridoxamine 5'-phosphate (PMP)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE BM30A |
Synchrotron site | ESRF |
Beamline | BM30A |
Temperature [K] | 293 |
Detector technology | PIXEL |
Collection date | 2018-11-15 |
Detector | DECTRIS PILATUS 12M |
Wavelength(s) | 1.0 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 55.710, 125.030, 130.900 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.710 - 2.220 |
Rwork | 0.237 |
R-free | 0.26500 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.010 |
RMSD bond angle | 1.000 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | nCNS (1.0.0) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 47.300 | 2.320 | 1.760 |
High resolution limit [Å] | 1.700 | 2.200 | 1.700 |
Rmerge | 0.039 | 0.308 | 0.370 |
Number of reflections | 96556 | 4048 | 9507 |
<I/σ(I)> | 18.3 | 4.4 | 3.3 |
Completeness [%] | 95.3 | 61.6 | 96.5 |
Redundancy | 3 | 4.3 | 2.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | BATCH MODE | 7.5 | 277 | 40 mM NaOAc (pH 5.4), 2 mM PLP, 9% polyethylene glycol (PEG) 6000, and 10% glycerol. The crystal soaked with 50 mM Tris-HCl (pH 7.5), 5% PEG 6000, 5% glycerol, and 300 mM L-cysteinesulfinate in D2O for 24 h |
1 | BATCH MODE | 7.5 | 277 | 40 mM NaOAc (pH 5.4), 2 mM PLP, 9% polyethylene glycol (PEG) 6000, and 10% glycerol. The crystal soaked with 50 mM Tris-HCl (pH 7.5), 5% PEG 6000, 5% glycerol, and 300 mM L-cysteinesulfinate in D2O for 24 h |