4Y6D
Factor Xa complex with GTC000101
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 | 2002-10-08 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 0.93 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 56.863, 72.729, 78.586 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 1.550 |
R-factor | 0.2002 |
Rwork | 0.199 |
R-free | 0.23340 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1ezq |
RMSD bond length | 0.008 |
RMSD bond angle | 1.344 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | REFMAC |
Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 25.000 | 25.000 | 1.610 |
High resolution limit [Å] | 1.550 | 3.340 | 1.550 |
Rmerge | 0.055 | 0.040 | 0.514 |
Total number of observations | 157978 | ||
Number of reflections | 46306 | ||
<I/σ(I)> | 12.6 | ||
Completeness [%] | 96.2 | 97.2 | 83.5 |
Redundancy | 3.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 16-20% PEG 6K, 50mM Mes-NaOH pH 5.7-6.0, 5 mM CaCl2, and 50 mM NaCl |