4O4C
Crystal Structure of an Inositol hexakisphosphate kinase apo-EhIP6KA
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-ID |
Synchrotron site | APS |
Beamline | 22-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-06-28 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 1.0 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 43.418, 128.371, 52.526 |
Unit cell angles | 90.00, 114.26, 90.00 |
Refinement procedure
Resolution | 32.110 - 2.200 |
R-factor | 0.23178 |
Rwork | 0.229 |
R-free | 0.28561 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4o4b |
RMSD bond length | 0.007 |
RMSD bond angle | 1.181 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | CCP4 |
Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.930 |
High resolution limit [Å] | 1.900 | 1.900 |
Number of reflections | 25151 | |
<I/σ(I)> | 25 | 3.6 |
Completeness [%] | 98.6 | 93.3 |
Redundancy | 3.7 | 3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Micro Seeding | 5.2 | 298 | 8% (w/v) PEG 3350, 100 mM Na3Citrate, pH 5.2 at 25C, Micro Seeding, temperature 298K |