4Z7J
Structure of Acetobacter aceti PurE-S57A
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-G |
Synchrotron site | APS |
Beamline | 21-ID-G |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-06-27 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.97856 |
Spacegroup name | I 4 2 2 |
Unit cell lengths | 99.362, 99.362, 165.353 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 41.338 - 1.502 |
R-factor | 0.1398 |
Rwork | 0.139 |
R-free | 0.15740 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4ycb |
RMSD bond length | 0.008 |
RMSD bond angle | 1.087 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.530 |
High resolution limit [Å] | 1.495 | 1.500 |
Rmerge | 0.100 | 0.793 |
Number of reflections | 63363 | |
<I/σ(I)> | 34.3 | 2.7 |
Completeness [%] | 99.5 | 89.9 |
Redundancy | 13.8 | 10.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.3 | 295 | 25% (v/v) PEG 4000, 0.1 M Tris-HCl, 0.2 M lithium sulfate |