5KCG
Crystal structure of the aromatic prenyltransferase AtaPT (apo state) from Aspergillus terreus A8-4
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17U |
Synchrotron site | SSRF |
Beamline | BL17U |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-06-20 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 96.200, 135.810, 69.520 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.580 - 1.900 |
R-factor | 0.19384 |
Rwork | 0.192 |
R-free | 0.23576 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3i4z |
RMSD bond length | 0.019 |
RMSD bond angle | 1.828 |
Data scaling software | SCALA (3.3.21) |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0071) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 135.810 | 45.340 | 2.000 |
High resolution limit [Å] | 1.900 | 6.010 | 1.900 |
Rmerge | 0.041 | 0.416 | |
Rmeas | 0.098 | ||
Rpim | 0.043 | ||
Total number of observations | 354138 | ||
Number of reflections | 71707 | ||
<I/σ(I)> | 11.1 | 16.1 | 1.7 |
Completeness [%] | 99.1 | 79.4 | 100 |
Redundancy | 4.9 | 4.7 | 5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 289 | 0.1 M Bis-Tris pH 6.0, 0.2 M (NH4)2SO4, 17% PEG 3350, 3.3% DDM |