2BLY
HEWL after a high dose x-ray "burn"
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 | 2004-12-18 |
Detector | ADSC CCD |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 77.325, 77.325, 38.159 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.000 - 1.400 |
R-factor | 0.131 |
Rwork | 0.129 |
R-free | 0.17000 |
Structure solution method | OTHER |
RMSD bond length | 0.022 |
RMSD bond angle | 1.855 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | SHELXD |
Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.490 |
High resolution limit [Å] | 1.400 | 1.400 |
Rmerge | 0.050 | 0.290 |
Number of reflections | 23305 | |
<I/σ(I)> | 25.16 | 6.41 |
Completeness [%] | 99.8 | 99.4 |
Redundancy | 7.8 | 7.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 30 % PEG 5000 MME, 1 M SODIUM CHLORIDE,5 0 MM PH 4.5 SODIUM ACETATE |