1KLJ
Crystal structure of uninhibited factor VIIa
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE BM1A |
Synchrotron site | ESRF |
Beamline | BM1A |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2001-02-02 |
Detector | MARRESEARCH |
Wavelength(s) | 1.54 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 94.443, 94.443, 114.315 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 2.440 |
Rwork | 0.231 |
R-free | 0.28600 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1kli |
RMSD bond length | 0.020 |
RMSD bond angle | 2.070 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | AMoRE |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 2.500 |
High resolution limit [Å] | 2.440 | 2.440 |
Rmerge | 0.113 | 0.658 |
Number of reflections | 18853 | |
Completeness [%] | 97.8 | 94.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 275 | Ammonium sulphate, glycerol, PEG 400, BICINE, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 275K |