5UOF
Crystal structure of alpha,alpha-trehalose 6-phosphate sythase from Burkholderia multivorans
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-F |
Synchrotron site | APS |
Beamline | 21-ID-F |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2016-06-22 |
Detector | RAYONIX MX-300 |
Wavelength(s) | 0.97872 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 117.580, 128.920, 85.960 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.000 - 1.700 |
R-factor | 0.1582 |
Rwork | 0.158 |
R-free | 0.18530 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5hxa |
RMSD bond length | 0.006 |
RMSD bond angle | 0.800 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.740 |
High resolution limit [Å] | 1.700 | 7.600 | 1.700 |
Rmerge | 0.086 | 0.057 | 0.544 |
Rmeas | 0.094 | 0.063 | 0.593 |
Number of reflections | 142053 | 1765 | 10280 |
<I/σ(I)> | 14.26 | 32 | 3.45 |
Completeness [%] | 98.8 | 98.4 | 97.7 |
Redundancy | 6.217 | 5.435 | 6.312 |
CC(1/2) | 0.997 | 0.995 | 0.904 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 289 | Morpheus screen, H6: 0.1 M MOPs/HEPES-Na pH 7.5, 10% PEG 8000, 20% ethylene glycol, 0.02 M NaGlu, Ala, Gly, Lys, and Ser: BumuA.00046.b.B1.PS37880 at 18.6 mg/ml: direct cryo: tray 272185 well H6, puck omx7-10 |