4AL3
peptide deformylase (Co-form) with mercaptoethanol
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.2 |
| Synchrotron site | BESSY |
| Beamline | 14.2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-11-25 |
| Detector | MARMOSAIC 225 mm CCD |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 55.630, 55.630, 229.340 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 48.180 - 1.980 |
| R-factor | 0.21645 |
| Rwork | 0.213 |
| R-free | 0.27582 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2w3t |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.401 |
| Data reduction software | MOSFLM (7.0.4) |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.090 |
| High resolution limit [Å] | 1.980 | 1.980 |
| Rmerge | 0.070 | 0.220 |
| Number of reflections | 13528 | |
| <I/σ(I)> | 12.7 | 6.3 |
| Completeness [%] | 88.0 | 56 |
| Redundancy | 6.3 | 5.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6 | 293 | 20.5% PEG 4000, 100 MM NA-ACETATE PH 4.0, 293 K. TRANSFERRED TO 20% PEG, 50 MM ACETATE PH 6.0, THEN SOAKED WITH 10 MM MERCAPTOETHANOL |
