#1: Journal: Acta Crystallogr.,Sect.F / Year: 2005 Title: Mimivirus Tyrrs: Preliminary Structural and Functional Characterization of the First Amino- Acyl tRNA Synthetase Found in a Virus. Authors: Abergel, C. / Chenivesse, S. / Byrne, D. / Suhre, K. / Arondel, V. / Claverie, J.-M.
Mass: 18.015 Da / Num. of mol.: 330 / Source method: isolated from a natural source / Formula: H2O
Sequence details
N TERMINAL EXTENSION DUE TO GATEWAY CLONING
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Experimental details
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Experiment
Experiment
Method: X-RAY DIFFRACTION / Number of used crystals: 1
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Sample preparation
Crystal
Density Matthews: 3.17 Å3/Da / Density % sol: 61.18 % Description: STRUCTURE WAS SOLVED USING TYRRS WITH SELENO SUBSTITUTED METHIONINE AND INCOMPLETE MAD DATASET AT 3.5 AMGSTROM RESOLUTION. THE UNREFINED CONSTRUCTION WAS USED AS MODEL FOR MOLECULAR ...Description: STRUCTURE WAS SOLVED USING TYRRS WITH SELENO SUBSTITUTED METHIONINE AND INCOMPLETE MAD DATASET AT 3.5 AMGSTROM RESOLUTION. THE UNREFINED CONSTRUCTION WAS USED AS MODEL FOR MOLECULAR REPLACEMENT WITH THE NATIVE DATASET
Crystal grow
pH: 5.5 Details: RESERVOIR: 0.1 M SODIUM CITRATE BUFFER PH 5.5, PEG 4000 8% (W/V), 15% MPD (V/V), 0.1M KCL, 1MM MGCL2 DROPLET: 2 MICROL TYRRS 14 MG/ML IN 20 MM TRIS PH 7.4, 1MM TYROSINOL, 1MM ATP 0.5 MICROL RESERVOIR
Monochromator: SILICON / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
Wavelength: 0.97925 Å / Relative weight: 1
Reflection
Resolution: 2.2→87 Å / Num. obs: 52537 / % possible obs: 100 % / Observed criterion σ(I): 0 / Redundancy: 4.5 % / Biso Wilson estimate: 25.9 Å2 / Rmerge(I) obs: 0.09 / Net I/σ(I): 2.2
Reflection shell
Resolution: 2.2→2.28 Å / Redundancy: 4.6 % / Rmerge(I) obs: 0.29 / Mean I/σ(I) obs: 2.3 / % possible all: 100
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Processing
Software
Name
Version
Classification
CNS
1
refinement
MOSFLM
datareduction
SCALA
datascaling
AMoRE
phasing
Refinement
Method to determine structure: MOLECULAR REPLACEMENT Starting model: LOW RESOLUTION MAD STRUCTURE Resolution: 2.2→29.83 Å / Rfactor Rfree error: 0.005 / Data cutoff high absF: 2137340.15 / Isotropic thermal model: RESTRAINED / Cross valid method: THROUGHOUT / σ(F): 0 Details: CHAIN A WAS NOT MODELED. DISORDERED REGION 142 TO 158 CHAIN B WAS NOT MODELED. DISORDERED REGION 223 TO 226 CHAIN B WAS MODELED USING RESIDUAL DENSITY AND STEREOCHEMISTRY.
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