3DKE
Polar and non-polar cavities in phage T4 lysozyme
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.2.1 |
Synchrotron site | ALS |
Beamline | 8.2.1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-01-25 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.9796,0.9797,0.9742,0.9807 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 60.226, 60.226, 96.677 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 52.130 - 1.250 |
R-factor | 0.15626 |
Rwork | 0.155 |
R-free | 0.17281 |
Structure solution method | MAD |
RMSD bond length | 0.007 |
RMSD bond angle | 1.142 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | MLPHARE |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 52.200 | 1.270 |
High resolution limit [Å] | 1.250 | 1.250 |
Rmerge | 0.115 | 0.214 |
Number of reflections | 56299 | |
<I/σ(I)> | 23.2 | 13.9 |
Completeness [%] | 99.9 | 100 |
Redundancy | 9.6 | 7.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.9 | 277 | 2.0-2.2 M NaH2PO4 and K2HPO4, pH 6.9, 5mM BME, 5mM oxidized BME, VAPOR DIFFUSION, HANGING DROP, temperature 277K |