2AY2
AROMATIC AMINO ACID AMINOTRANSFERASE WITH CYCLOHEXANE PROPIONIC ACID
Experimental procedure
Source type | ROTATING ANODE |
Source details | RIGAKU RUH2R |
Temperature [K] | 293 |
Detector technology | IMAGE PLATE |
Collection date | 1997-09-10 |
Detector | RIGAKU |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 123.950, 121.860, 55.200 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 6.000 - 2.400 |
R-factor | 0.166 |
Rwork | 0.166 |
R-free | 0.23400 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1ay8 |
RMSD bond length | 0.006 |
RMSD bond angle | 22.800 * |
Data reduction software | PROCESS ((RIGAKU)) |
Data scaling software | PROCESS ((RIGAKU)) |
Phasing software | X-PLOR (3.1) |
Refinement software | X-PLOR (3.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 122.000 | 2.500 |
High resolution limit [Å] | 2.400 | 2.200 |
Rmerge | 0.062 | 0.177 |
Total number of observations | 86693 * | |
Number of reflections | 27153 | |
<I/σ(I)> | 178 | 25.5 |
Completeness [%] | 97.7 | 97.7 |
Redundancy | 3.2 | 1.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | micro-seeding * | 6.4 | pH 6.4 |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | reservoir | PEG4000 | 24.0 (%) | |
2 | 1 | reservoir | sodium citrate | 0.1 (M) | |
3 | 1 | reservoir | cyclohexane propionic acid | 0.1 (M) |