4ATQ
GABA-transaminase A1R958 in complex with external aldimine PLP-GABA adduct
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 | 176.710, 292.830, 105.960 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 90.870 - 2.750 |
| R-factor | 0.20407 |
| Rwork | 0.202 |
| R-free | 0.24803 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4atp |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.451 |
| Data scaling software | xia2 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.6.0119) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 97.610 | 2.820 |
| High resolution limit [Å] | 2.750 | 2.750 |
| Rmerge | 0.120 | 0.740 |
| Number of reflections | 136067 | |
| <I/σ(I)> | 14.3 | 2.6 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 7.4 | 7.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | 28% (W/V) PEG3350, 0.2M AMMONIUM ACETATE, 1MM PLP, 3% (V/V) DIOXANE, 10 MM GABA, 100 MM BIS-TRIS PROPANE PH 7.5, PROTEIN AT 10 MG PER ML. |
