2J3L
Prolyl-tRNA synthetase from Enterococcus faecalis complexed with a prolyl-adenylate analogue ('5'-O-(N-(L-PROLYL)-SULFAMOYL)ADENOSINE)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-4 |
Synchrotron site | ESRF |
Beamline | ID14-4 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2001-11-28 |
Detector | ADSC CCD |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 121.440, 121.440, 178.840 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 100.500 - 2.300 |
R-factor | 0.208 |
Rwork | 0.206 |
R-free | 0.26800 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | PRORS FROM RHODOPSEUDOMONAS PALUSTRIS |
RMSD bond length | 0.012 |
RMSD bond angle | 1.478 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.400 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.080 | 0.430 |
Number of reflections | 58612 | |
<I/σ(I)> | 11.2 | 2.4 |
Completeness [%] | 97.7 | 82.5 |
Redundancy | 3.8 | 2.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 52% AMMONIUM SULPHATE, PROLYL-ADENYLATE ANALOGUE |