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 |
