6THQ
Crystal structure of branched-chain aminotransferase from thermophilic archaea Thermoproteus uzoniensis with norvaline
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL41XU |
Synchrotron site | SPring-8 |
Beamline | BL41XU |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-10-10 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.7 |
Spacegroup name | P 32 1 2 |
Unit cell lengths | 93.460, 93.460, 213.170 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 80.940 - 2.150 |
R-factor | 0.1895 |
Rwork | 0.187 |
R-free | 0.23420 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5ce8 |
RMSD bond length | 0.019 |
RMSD bond angle | 2.141 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | REFMAC |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 80.940 | 10.000 | 2.200 |
High resolution limit [Å] | 2.150 | 4.000 | 2.150 |
Rmerge | 0.064 | 0.024 | 1.111 |
Rmeas | 0.068 | 0.025 | 1.183 |
Total number of observations | 473788 | ||
Number of reflections | 58111 | 8616 | 3766 |
<I/σ(I)> | 22.96 | 70.83 | 2.26 |
Completeness [%] | 99.7 | 99.7 | 98.2 |
Redundancy | 8.153 | 8.055 | 8.309 |
CC(1/2) | 1.000 | 1.000 | 0.761 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 277 | 0.1 M sodium acetate trihydrate, pH 4.6, 8% PEG 4000 |