4IRN
Crystal Structure of the Prolyl Acyl Carrier Protein Oxidase AnaB
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-2 |
Synchrotron site | ESRF |
Beamline | ID23-2 |
Temperature [K] | 200 |
Detector technology | CCD |
Collection date | 2011-06-08 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.87260 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 64.442, 191.184, 132.492 |
Unit cell angles | 90.00, 98.94, 90.00 |
Refinement procedure
Resolution | 30.000 - 2.800 |
R-factor | 0.1893 |
Rwork | 0.188 |
R-free | 0.21870 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1jqi |
RMSD bond length | 0.008 |
RMSD bond angle | 1.020 |
Data reduction software | XDS |
Data scaling software | SCALA (3.3.16) |
Phasing software | PHASER |
Refinement software | BUSTER-TNT |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 130.882 | 47.796 | 2.950 |
High resolution limit [Å] | 2.800 | 8.850 | 2.800 |
Rmerge | 0.033 | 0.370 | |
Total number of observations | 7770 | 34899 | |
Number of reflections | 76832 | ||
<I/σ(I)> | 9.2 | 18.1 | 2.1 |
Completeness [%] | 99.0 | 97.8 | 98.9 |
Redundancy | 3.2 | 3.2 | 3.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293 | 24% PEG 4000, 100mM Tris-HCl pH 8.5 100mM MgCl2 , VAPOR DIFFUSION, HANGING DROP, temperature 293K |