4O9K
Crystal structure of the CBS pair of a putative D-arabinose 5-phosphate isomerase from Methylococcus capsulatus in complex with CMP-Kdo
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-F |
Synchrotron site | APS |
Beamline | 21-ID-F |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-11-11 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.97872 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 45.151, 62.408, 75.664 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.140 - 1.850 |
R-factor | 0.1505 |
Rwork | 0.148 |
R-free | 0.18890 |
Structure solution method | SAD |
RMSD bond length | 0.016 |
RMSD bond angle | 1.835 |
Data reduction software | HKL-3000 |
Data scaling software | SCALEPACK |
Phasing software | SHELX |
Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.880 |
High resolution limit [Å] | 1.850 | 1.850 |
Rmerge | 0.146 | 0.703 |
Number of reflections | 18460 | |
<I/σ(I)> | 12.5 | 1.8 |
Completeness [%] | 98.6 | 99.2 |
Redundancy | 5.7 | 5.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 289 | 0.2 ul of 9 mg/ml protein in 20 mM HEPES pH 7.5, 150 mM NaCl, 10% Glycerol, 0.1% Sodium Azide and 0.5 mM TCEP were mixed with 0.2 ul of the MCSG-II condition #27 (0.2 M Ammomium Acetate, 0.1 M HEPES:NaOH pH 7.5, 25% (w/v) PEG 3350) and equilibrated against 1.5 M NaCl solution in QIAGEN EasyXtal 15-Well Tool plate. Before crystallization protein was incubated with 1/50 v/v of 2 mg/ml chymotrypsin solution at 289 K for 3 hours, VAPOR DIFFUSION, SITTING DROP |