1VLH
Crystal structure of Phosphopantetheine adenylyltransferase (TM0741) from Thermotoga maritima at 2.20 A resolution
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.3 |
Synchrotron site | ALS |
Beamline | 5.0.3 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2003-10-08 |
Detector | ADSC |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 67.963, 110.876, 74.087 |
Unit cell angles | 90.00, 111.98, 90.00 |
Refinement procedure
Resolution | 68.700 - 2.200 |
R-factor | 0.17332 |
Rwork | 0.171 |
R-free | 0.22687 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1b6t |
RMSD bond length | 0.016 |
RMSD bond angle | 1.716 |
Data reduction software | MOSFLM |
Data scaling software | SCALA (4.2)) |
Phasing software | MOLREP |
Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 68.700 | 2.260 |
High resolution limit [Å] | 2.200 | 2.200 |
Number of reflections | 48776 | |
<I/σ(I)> | 14.5 | 2 |
Completeness [%] | 94.5 | 68 |
Redundancy | 3.1 | 1.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION,SITTING DROP,NANODROP | 8 | 277 | 0.2M MgCl2, 35.0% MPD, 0.1M Imidazole pH 8.0, VAPOR DIFFUSION,SITTING DROP,NANODROP, temperature 277K |