2YBI
Nitrate X-ray induced reduction on HEWL crystals (6.62 MGy)
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 | 2010-05-10 |
Detector | ADSC QUANTUM 210 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 77.900, 77.900, 38.510 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 35.000 - 2.000 |
R-factor | 0.19264 |
Rwork | 0.191 |
R-free | 0.23273 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2w1l |
RMSD bond length | 0.007 |
RMSD bond angle | 0.994 |
Data reduction software | MOSFLM |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | REFMAC (5.5.0110) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 2.100 | 2.100 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.050 | 0.080 |
Number of reflections | 8397 | |
<I/σ(I)> | 8.4 | 8.2 |
Completeness [%] | 99.4 | 99.8 |
Redundancy | 6.2 | 6.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 4.7 | 200 MM SODIUM ACETATE BUFFER PH 4.7, 10% W/V NACL. |