6DAY
Xanthomonas albilineans Dihydropteroate synthase with 4-aminobenzoic acid at 1.65 A
Replaces: 5UURExperimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | LNLS BEAMLINE W01B-MX2 |
Synchrotron site | LNLS |
Beamline | W01B-MX2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2014-10-28 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 1.4567 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 82.589, 75.387, 89.106 |
Unit cell angles | 90.00, 101.10, 90.00 |
Refinement procedure
Resolution | 32.750 - 1.650 |
R-factor | 0.1794 |
Rwork | 0.177 |
R-free | 0.21610 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1aj0 |
RMSD bond length | 0.011 |
RMSD bond angle | 1.169 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.13_2998) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 32.750 | 1.710 |
High resolution limit [Å] | 1.650 | 1.650 |
Rmerge | 0.023 | 0.220 |
Rmeas | 0.032 | 0.312 |
Rpim | 0.023 | 0.220 |
Number of reflections | 127875 | 12436 |
<I/σ(I)> | 13.89 | 2.8 |
Completeness [%] | 99.0 | 96.89 |
Redundancy | 2 | 1.9 |
CC(1/2) | 0.999 | 0.937 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 291.15 | Polyethylene glycol 3.350, Bis-tris pH 6.5, Lithium sulfate |