5Y9X
Crystal structure of the Kdo hydroxylase KdoO, a non-heme Fe(II) alphaketoglutarate dependent dioxygenase in complex with alphaketoglutarate and coblat(II)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-BM |
Synchrotron site | APS |
Beamline | 22-BM |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-07-31 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 1.0 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 46.038, 59.263, 116.253 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 24.363 - 1.390 |
R-factor | 0.1344 |
Rwork | 0.133 |
R-free | 0.16800 |
RMSD bond length | 0.005 |
RMSD bond angle | 0.789 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX |
Refinement software | PHENIX (1.10.1_2155) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.410 |
High resolution limit [Å] | 1.390 | 3.770 | 1.390 |
Rmerge | 0.065 | 0.031 | 0.433 |
Number of reflections | 61166 | 3493 | 2622 |
<I/σ(I)> | 9.3 | ||
Completeness [%] | 93.9 | 99 | 81.5 |
Redundancy | 7 | 7.7 | 4.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.5 | 288 | 0.1M Sodium acetate (pH 4.5), 200mM Lithium sulfate, 50% v/v PEG 400 |