2HIJ
Crystal Structure of P14 Alanine Variant of Antithrombin
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 | 2006-04-29 |
Detector | ADSC QUANTUM 4 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 61.743, 98.627, 87.569 |
Unit cell angles | 90.00, 101.40, 90.00 |
Refinement procedure
Resolution | 51.570 - 2.900 |
R-factor | 0.199 |
Rwork | 0.199 |
R-free | 0.24900 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1e04 |
RMSD bond length | 0.007 |
RMSD bond angle | 1.360 |
Phasing software | CNS |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 51.570 | 3.060 |
High resolution limit [Å] | 2.900 | 2.900 |
Rmerge | 0.111 | 0.538 |
Number of reflections | 22751 | |
<I/σ(I)> | 10.8 | 2.6 |
Completeness [%] | 99.2 | 99.7 |
Redundancy | 3.2 | 3.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 6.7 | 293 | 12.75% PEG, 50mM K/NaPO4, pH 6.70, VAPOR DIFFUSION, HANGING DROP, temperature 293K |