4MU4
The form B structure of an E21Q catalytic mutant of A. thaliana IGPD2 in complex with Mn2+ and its substrate, 2R3S-IGP, to 1.41 A resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I24 |
| Synchrotron site | Diamond |
| Beamline | I24 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2011-11-04 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9686 |
| Spacegroup name | P 4 3 2 |
| Unit cell lengths | 112.900, 112.900, 112.900 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 65.183 - 1.410 |
| R-factor | 0.12495 |
| Rwork | 0.123 |
| R-free | 0.15360 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2f1d |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.497 |
| 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] | 65.183 | 1.450 |
| High resolution limit [Å] | 1.410 | 1.410 |
| Rmerge | 0.085 | 0.849 |
| Number of reflections | 47547 | |
| <I/σ(I)> | 17.7 | 3.4 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 10.5 | 10.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 290 | 0.05% PEG2000, 0.4 M succinic acid, pH 7.0, 0.1 M HEPES, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 290K |
