5XTL
Crystal Structure of Transketolase in complex with aminopyrimidine and cysteine sulfonic acid adduct from Pichia Stipitis
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSRRC BEAMLINE BL15A1 |
Synchrotron site | NSRRC |
Beamline | BL15A1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-01-19 |
Detector | RAYONIX MX300HE |
Wavelength(s) | 1 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 101.578, 186.086, 98.835 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 27.622 - 1.101 |
R-factor | 0.162 |
Rwork | 0.162 |
R-free | 0.17100 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5hyv |
RMSD bond length | 0.008 |
RMSD bond angle | 1.096 |
Data scaling software | HKL-2000 |
Refinement software | PHENIX ((1.11.1_2575: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 1.140 |
High resolution limit [Å] | 1.100 | 1.100 |
Rmerge | 0.100 | 0.480 |
Number of reflections | 369681 | |
<I/σ(I)> | 15.6 | |
Completeness [%] | 98.9 | |
Redundancy | 8.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.1M MES, 0.1M NaCl, PEG 400 |