4ZM3
Crystal structure of PLP-Dependent 3-Aminobenzoate Synthase PctV wild-type
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE AR-NW12A |
| Synchrotron site | Photon Factory |
| Beamline | AR-NW12A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-06-17 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 58.990, 170.830, 74.570 |
| Unit cell angles | 90.00, 98.33, 90.00 |
Refinement procedure
| Resolution | 42.850 - 2.270 |
| R-factor | 0.18198 |
| Rwork | 0.180 |
| R-free | 0.22178 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3fq7 |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.609 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 42.850 | 2.390 |
| High resolution limit [Å] | 2.270 | 2.270 |
| Rmerge | 0.085 | 0.368 |
| Number of reflections | 63742 | |
| <I/σ(I)> | 8.9 | 2.7 |
| Completeness [%] | 95.0 | 92.6 |
| Redundancy | 3.4 | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 299 | PEG 4000, magnesium chloride, Tris-HCl |
