4QDF
Crystal structure of apo KshA5 and KshA1 in complex with 1,4-30Q-CoA from R. rhodochrous
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CLSI BEAMLINE 08B1-1 |
Synchrotron site | CLSI |
Beamline | 08B1-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-02-24 |
Detector | Rayonix MX300HE CCD X-ray detector |
Wavelength(s) | 0.92 |
Spacegroup name | F 2 3 |
Unit cell lengths | 273.680, 273.680, 273.680 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 68.420 - 2.430 |
R-factor | 0.1865 |
Rwork | 0.185 |
R-free | 0.21370 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 1.255 |
Data reduction software | MOSFLM |
Data scaling software | Aimless (0.1.27) |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0071) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 68.410 | 68.410 | 2.490 |
High resolution limit [Å] | 2.430 | 11.110 | 2.430 |
Rmerge | 0.176 | 0.015 | 0.015 |
Total number of observations | 9714 | 64513 | |
Number of reflections | 64010 | ||
<I/σ(I)> | 12.6 | 33.6 | 2 |
Completeness [%] | 100.0 | 99.6 | 100 |
Redundancy | 14.7 | 13.5 | 14.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.2 | 294 | 500 mM NaH2PO4, 125 mM K2HPO4, 4% PEG- 1000, 20 mM Tris, 100 mM phosphate-citrate , pH 4.2, VAPOR DIFFUSION, HANGING DROP, temperature 294K |