2YBJ
Nitrate X-ray induced reduction on HEWL crystals (12.31 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 CCD |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 78.000, 78.000, 38.540 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 55.150 - 2.000 |
R-factor | 0.2017 |
Rwork | 0.201 |
R-free | 0.21478 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2w1l |
RMSD bond length | 0.006 |
RMSD bond angle | 0.954 |
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] | 35.000 | 2.100 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.060 | 0.110 |
Number of reflections | 8433 | |
<I/σ(I)> | 7.7 | 5.8 |
Completeness [%] | 99.4 | 99.8 |
Redundancy | 6.2 | 6.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 4.7 | 200 MM SODIUM ACETATE PH 4.7, 10% W/V NACL. |