3ZUD
THERMOASCUS GH61 ISOZYME A
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | MAX II BEAMLINE I911-2 |
| Synchrotron site | MAX II |
| Beamline | I911-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-03-17 |
| Detector | MARRESEARCH SX-165 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 34.500, 87.300, 37.300 |
| Unit cell angles | 90.00, 104.70, 90.00 |
Refinement procedure
| Resolution | 27.810 - 1.250 |
| R-factor | 0.1563 |
| Rwork | 0.155 |
| R-free | 0.17925 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2yet |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.327 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.280 |
| High resolution limit [Å] | 1.250 | 1.250 |
| Rmerge | 0.040 | 0.140 |
| Number of reflections | 106535 | |
| <I/σ(I)> | 22.3 | 6 |
| Completeness [%] | 93.2 | 83.2 |
| Redundancy | 2.5 | 1.82 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | 25% PEG3350, 0.1M BISTRIS PH 5.5, 0.2 M AMMONIUM ACETATE AS RESERVOIR. AFTERWARDS THE CRYSTAL WAS SOAKED IN A SOLUTION CONSISTING OF RESERVOIR TO WHICH CU(NO3)2 HAD BEEN ADDED TO A FINAL CONCENTRATION OF 10 MM |
