3ZUJ
Padron on (fluorescent) ABcis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-2 |
| Synchrotron site | ESRF |
| Beamline | ID14-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-11-23 |
| Detector | ADSC QUANTUM 4 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 109.580, 181.560, 72.820 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.544 - 2.345 |
| R-factor | 0.1906 |
| Rwork | 0.189 |
| R-free | 0.25020 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2z1o |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.261 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.490 |
| High resolution limit [Å] | 2.340 | 2.340 |
| Rmerge | 0.070 | 0.320 |
| Number of reflections | 61045 | |
| <I/σ(I)> | 19.91 | 5.29 |
| Completeness [%] | 98.8 | 98.3 |
| Redundancy | 5.23 | 5.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | 500 MM MG(NO3)2, 50 MM HEPES (PH 7.5), 26% PEG 3350 AS CRYSTALLIZATION BUFFER. OPTIMIZED CRYSTALS WERE THEN OBTAINED BY MICRO-SEEDING IN THE SAME BUFFER, EXCEPT THAT A REDUCED AMOUNT OF PEG 3350 WAS USED (16%). |
