3DAA
CRYSTALLOGRAPHIC STRUCTURE OF D-AMINO ACID AMINOTRANSFERASE INACTIVATED BY PYRIDOXYL-D-ALANINE
Experimental procedure
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X12C |
Synchrotron site | NSLS |
Beamline | X12C |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 1996-06-14 |
Detector | MARRESEARCH |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 77.100, 78.300, 88.400 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.000 - 1.900 |
R-factor | 0.195 |
Rwork | 0.195 |
R-free | 0.24500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1daa |
RMSD bond length | 0.008 |
RMSD bond angle | 23.862 * |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | X-PLOR (3.8) |
Refinement software | X-PLOR (3.8) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 1.850 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.062 | 0.293 |
Total number of observations | 57553 * | |
Number of reflections | 43763 | |
<I/σ(I)> | 15.9 | 3.5 |
Completeness [%] | 87.1 | 76.1 |
Redundancy | 2.47 | 2.35 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.6 * | PDA INACTIVATED PROTEIN WAS CONCENTRATED TO 30 MG/ML IN 0.1 M POTASSIUM PHOSPHATE BUFFER PH 7.6 CONTAINING 50 UM PLP AND 0.001 BETA-MERCAPTOETHANOL. CRYSTALS WERE THEN GROWN BY THE HANGING DROP METHOD IN 27% PEG 4000, 0.3 M SODIUM ACETATE, AND 0.1 M TRIS-CHLORIDE PH 8.5., vapor diffusion - hanging drop |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | protein | 15 (mg/ml) | |
10 | 1 | reservoir | Tris-Cl | 100 (mM) | |
2 | 1 | drop | potassium phosphate | 50 (mM) | |
3 | 1 | drop | PLP | 0.025 (mM) | |
4 | 1 | drop | beta-mercaptoethanol | 0.005 (mM) | |
5 | 1 | drop | PEG4000 | 13-14 (%) | |
6 | 1 | drop | sodium acetate | 150 (mM) | |
7 | 1 | drop | Tris-Cl | 50 (mM) | |
8 | 1 | reservoir | PEG4000 | 26-28 (%) | |
9 | 1 | reservoir | sodium acetate | 300 (mM) |