3ZYT
Structure Determination of EstA from Arthrobacter nitroguajacolicus Rue61a
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE X12 |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | X12 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-06-15 |
| Detector | MARRESEARCH |
| Spacegroup name | I 41 3 2 |
| Unit cell lengths | 191.246, 191.246, 191.246 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 135.230 - 2.450 |
| R-factor | 0.18097 |
| Rwork | 0.179 |
| R-free | 0.21639 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.023 |
| RMSD bond angle | 2.050 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHENIX-ROSETTA |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.730 | 2.580 |
| High resolution limit [Å] | 2.340 | 2.450 |
| Rmerge | 0.080 | 0.440 |
| Number of reflections | 25288 | |
| <I/σ(I)> | 8.3 | 1.8 |
| Completeness [%] | 99.8 | 99.8 |
| Redundancy | 17.2 | 17.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.5 | 0.2M MGCL2, 0.1M BIS-TRIS PH6.5, 25% W/V PEG 3350 |
