1NL1
BOVINE PROTHROMBIN FRAGMENT 1 IN COMPLEX WITH CALCIUM ION
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X12C |
| Synchrotron site | NSLS |
| Beamline | X12C |
| Temperature [K] | 110 |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 39.188, 53.443, 128.173 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 32.000 * - 1.900 |
| R-factor | 0.219 |
| Rwork | 0.219 |
| R-free | 0.25300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2pf2 |
| RMSD bond length | 0.019 |
| RMSD bond angle | 23.900 * |
| Phasing software | AMoRE |
| Refinement software | CNS (0.9) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 32.000 | 1.970 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.077 | 0.379 |
| Total number of observations | 150545 * | |
| Number of reflections | 21658 | 2064 * |
| <I/σ(I)> | 18.5 | 2.6 |
| Completeness [%] | 98.3 | 96.3 |
| Redundancy | 7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion * | 7.6 | pH 7.6 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | PEG8000 | 20 (%(w/v)) | |
| 2 | 1 | reservoir | 0.5 (M) | ||
| 3 | 1 | reservoir | 10 (mM) | ||
| 4 | 1 | reservoir | HEPES | 50 (mM) | pH7.6 |
