4XK1
Crystal Structure of a Phosphoserine/phosphohydroxythreonine Aminotransferase (PSAT) from Pseudomonas aeruginosa with cofactor Pyridoxal Phosphate and bound Glutamate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-F |
Synchrotron site | APS |
Beamline | 21-ID-F |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-12-04 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.97872 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 72.220, 72.220, 268.480 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 40.741 - 2.150 |
R-factor | 0.1813 |
Rwork | 0.179 |
R-free | 0.21890 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 1.111 |
Data scaling software | XSCALE |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.210 | |
High resolution limit [Å] | 2.150 | 9.620 | 2.150 |
Rmerge | 0.044 | 0.018 | 0.543 |
Rmeas | 0.048 | 0.019 | 0.584 |
Total number of observations | 328897 | ||
Number of reflections | 45360 | 557 | 3294 |
<I/σ(I)> | 26.24 | 60.45 | 3.54 |
Completeness [%] | 99.9 | 91.5 | 100 |
Redundancy | 7.3 | 7.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 290 | PsaeA.00980.a.B1.PW37585 at 22 mg/ml mixed 1:1 with Morpheus(g9): 10% PEG-20,000, 20% PEG-MME-550, 0.1M bicine/ trizma base, pH=8.5, 0.02M each sodium formate, ammonium acetate, trisodium citrate, sodium potassium L-tartrate, sodium oxamate |