4ATP
Structure of GABA-transaminase A1R958 from Arthrobacter aurescens in complex with PLP
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04 |
Synchrotron site | Diamond |
Beamline | I04 |
Temperature [K] | 120 |
Detector technology | CCD |
Collection date | 2012-02-12 |
Detector | ADSC CCD |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 175.700, 290.990, 104.540 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 89.840 - 2.800 |
R-factor | 0.19512 |
Rwork | 0.193 |
R-free | 0.22892 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3oks |
RMSD bond length | 0.011 |
RMSD bond angle | 1.526 |
Data scaling software | xia2 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.6.0119) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 89.840 | 2.870 |
High resolution limit [Å] | 2.800 | 2.800 |
Rmerge | 0.180 | 0.720 |
Number of reflections | 125730 | |
<I/σ(I)> | 10.5 | 2.6 |
Completeness [%] | 100.0 | 100 |
Redundancy | 7.4 | 7.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7.5 | 28% (W/V) PEG 3350, 0.2 M AMMONIUM ACETATE, 3% DIOXANE, 1 MM PLP, 100 MM BIS-TRIS PROPANE PH 7.5, PROTEIN AT 10 MG PER ML. |