3R74
Crystal structure of 2-amino-2-desoxyisochorismate synthase (ADIC) synthase PhzE from Burkholderia lata 383
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X10SA |
| Synchrotron site | SLS |
| Beamline | X10SA |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-11-07 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 1.0, 0.97895, 0.97957, 0.97793 |
| Spacegroup name | P 62 2 2 |
| Unit cell lengths | 172.360, 172.360, 216.440 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 19.920 - 2.900 |
| R-factor | 0.1891 |
| Rwork | 0.187 |
| R-free | 0.23130 |
| Structure solution method | MAD |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.762 |
| Data scaling software | XSCALE |
| Phasing software | SHARP |
| Refinement software | REFMAC (5.6.0077) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 19.924 | 3.000 | |
| High resolution limit [Å] | 2.900 | 20.000 | 2.900 |
| Rmerge | 0.062 | 0.020 | 0.470 |
| Number of reflections | 42476 | 116 | 4030 |
| <I/σ(I)> | 20.07 | 48.07 | 3.68 |
| Completeness [%] | 99.6 | 64.4 | 99.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 298 | 0.1 M Bis-TRIS propane, 0.2 M KSCN, 22% (w/v) PEG 3350, 1 mM Mg-chloride, 20 mM chorismate, pH 7.0, vapor diffusion, hanging drop, temperature 298K |
