3M4Q
Entamoeba histolytica asparaginyl-tRNA synthetase (AsnRS)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL11-1 |
Synchrotron site | SSRL |
Beamline | BL11-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-04-28 |
Detector | MARMOSAIC 325 mm CCD |
Wavelength(s) | 0.979 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 102.047, 102.047, 205.015 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.800 - 3.000 |
R-factor | 0.222 |
Rwork | 0.220 |
R-free | 0.26700 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3m4p; A chain protein only model |
RMSD bond length | 0.006 |
RMSD bond angle | 0.958 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER (2.1.4) |
Refinement software | REFMAC (refmac_5.5.0106) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 3.110 |
High resolution limit [Å] | 3.000 | 3.000 |
Rmerge | 0.121 | 0.762 |
Number of reflections | 22471 | |
<I/σ(I)> | 9.2 | 1.75 |
Completeness [%] | 99.8 | 98.9 |
Redundancy | 13.9 | 10.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.6 | 298 | 0.2 ul 29 mg/ml protein in SGPP buffer mixed with 0.2 ul well soln. (100 mM HEPES pH 7.6, 25% PEG 3350, 200 mM MgCl2); cryoprotected by soaking ~1 min. in well soln supplemented with 10% PEG 200, vapor diffusion, sitting drop, temperature 298K |