1SD4
Crystal Structure of a SeMet derivative of BlaI at 2.0 A
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 | 2003-03-23 |
Detector | BRANDEIS - B4 |
Wavelength(s) | 0.9792, 0.9795, 0.9611 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 64.412, 116.362, 40.170 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.300 - 2.000 |
R-factor | 0.20468 |
Rwork | 0.203 |
R-free | 0.23718 |
Structure solution method | MAD |
RMSD bond length | 0.017 |
RMSD bond angle | 1.358 |
Data scaling software | SCALEPACK |
Phasing software | SOLVE |
Refinement software | REFMAC (5.1.24) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.070 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.061 | 0.510 |
Number of reflections | 20786 | |
<I/σ(I)> | 52.8 | 3.7 |
Completeness [%] | 98.4 | 94.5 |
Redundancy | 13.7 | 10.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.4 | 291 | ammonium sulfate, glycerol, pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 291K |