4AAL
MacA wild-type oxidized
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE X13 |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | X13 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-11-08 |
| Detector | MARRESEARCH SX-165 |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 118.030, 118.030, 242.036 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 102.060 - 1.840 |
| R-factor | 0.19099 |
| Rwork | 0.189 |
| R-free | 0.23678 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3hq6 |
| RMSD bond length | 0.020 |
| RMSD bond angle | 2.546 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.6.0113) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.100 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.090 | 0.280 |
| Number of reflections | 73166 | |
| <I/σ(I)> | 7.9 | 3 |
| Completeness [%] | 96.4 | 97.7 |
| Redundancy | 13.5 | 8.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 5.5 | 1.3 M SODIUM POTASSIUM PHOSPHATE, 0.1 M AMMONIUM ACETATE PH 5.5, 6% ETHANOL |
