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 |