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 |