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 |
