1X94
Crystal Structure of a Hypothetical protein
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X12C |
Synchrotron site | NSLS |
Beamline | X12C |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2004-03-04 |
Detector | BRANDEIS - B4 |
Wavelength(s) | 0.97862,0.97904,0.94 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 134.279, 46.112, 60.350 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 44.880 - 2.500 |
R-factor | 0.229 |
Rwork | 0.229 |
R-free | 0.28500 |
Structure solution method | MAD |
RMSD bond length | 0.007 |
RMSD bond angle | 1.200 |
Data scaling software | HKL-2000 |
Phasing software | SOLVE |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.590 |
High resolution limit [Å] | 2.500 | 2.500 |
Rmerge | 0.120 | 0.550 |
Number of reflections | 18477 | |
<I/σ(I)> | 8.3 | |
Completeness [%] | 87.3 | |
Redundancy | 7.3 | 9.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 293 | Ammonium Acetate, Bis Tris, NaCl, pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 20K, temperature 293K |