3ZWM
Crystal structure of ADP ribosyl cyclase complexed with substrate NAD and product cADPR
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSRRC BEAMLINE BL13B1 |
Synchrotron site | NSRRC |
Beamline | BL13B1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-11-14 |
Detector | ADSC CCD |
Spacegroup name | P 1 |
Unit cell lengths | 60.578, 76.659, 140.325 |
Unit cell angles | 87.78, 89.19, 89.24 |
Refinement procedure
Resolution | 30.000 - 2.500 |
R-factor | 0.21842 |
Rwork | 0.215 |
R-free | 0.28453 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1r12 |
RMSD bond length | 0.016 |
RMSD bond angle | 1.750 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.590 |
High resolution limit [Å] | 2.500 | 2.500 |
Rmerge | 0.100 | 0.810 |
Number of reflections | 84316 | |
<I/σ(I)> | 14.3 | 1.3 |
Completeness [%] | 96.9 | 92.4 |
Redundancy | 3.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7.5 | 0.1M IMIDAZOLE, PH 7.5, 12-14% PEG 4000 |