4MU3
The form A structure of an E21Q catalytic mutant of A. thaliana IGPD2 in complex with Mn2+ and a mixture of its substrate, 2R3S-IGP, and an inhibitor, 2S3S-IGP, to 1.12 A resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I02 |
| Synchrotron site | Diamond |
| Beamline | I02 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-02-12 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9794 |
| Spacegroup name | P 4 3 2 |
| Unit cell lengths | 113.100, 113.100, 113.100 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.170 - 1.120 |
| R-factor | 0.12577 |
| Rwork | 0.125 |
| R-free | 0.13856 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2f1d |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.715 |
| Data reduction software | XDS ((XIA2)) |
| Data scaling software | XSCALE ((XIA2)) |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.170 | 1.140 |
| High resolution limit [Å] | 1.120 | 1.120 |
| Rmerge | 0.041 | 0.568 |
| Number of reflections | 94992 | |
| <I/σ(I)> | 30.8 | 2.5 |
| Completeness [%] | 99.1 | 93.9 |
| Redundancy | 9.5 | 4.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 290 | 25% ethylene glycol, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 290K |
