2PCR
Crystal structure of Myo-inositol-1(or 4)-monophosphatase (aq_1983) from Aquifex Aeolicus VF5
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | SRS BEAMLINE PX10.1 |
| Synchrotron site | SRS |
| Beamline | PX10.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-02-05 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.9790, 0.9790, 0.9200 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 87.001, 68.159, 96.938 |
| Unit cell angles | 90.00, 97.86, 90.00 |
Refinement procedure
| Resolution | 36.420 - 2.600 |
| R-factor | 0.19 |
| Rwork | 0.190 |
| R-free | 0.24700 |
| Structure solution method | SAD |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.300 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | SOLVE |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 2.690 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Rmerge | 0.086 | 0.324 |
| Number of reflections | 65109 | |
| Completeness [%] | 99.5 | 98.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICROBATCH (TERA) | 9.32 | 293 | 27.5% PEG MME 2000, 0.1M CHES-HCl, pH 9.32, MICROBATCH (TERA), temperature 293K |
