5A0Z
STRUCTURE OF CUTC CHOLINE LYASE CHOLINE FREE FORM FROM KLEBSIELLA PNEUMONIAE
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | MAX II BEAMLINE I911-3 |
Synchrotron site | MAX II |
Beamline | I911-3 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-02-09 |
Detector | RAYONIX BONDED TO FIBER-OPTIC TAPERS |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 103.600, 154.550, 120.780 |
Unit cell angles | 90.00, 96.85, 90.00 |
Refinement procedure
Resolution | 119.920 - 3.000 |
R-factor | 0.23501 |
Rwork | 0.232 |
R-free | 0.28598 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5a0u |
RMSD bond length | 0.014 |
RMSD bond angle | 1.721 |
Data reduction software | iMOSFLM |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0107) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 61.780 | 3.160 |
High resolution limit [Å] | 3.000 | 3.000 |
Rmerge | 0.110 | 0.380 |
Number of reflections | 66881 | |
<I/σ(I)> | 5.2 | 1.9 |
Completeness [%] | 89.3 | 76.2 |
Redundancy | 1.8 | 1.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 6.5 | 20% PEG 3350, 100-160 MM K/NA TARTRATE, 100 MM BIS-TRIS, PH 6.5 |