4ATE
High resolution crystal structure of beta-porphyranase A from Zobellia galactanivorans
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-03-25 |
| Detector | ADSC QUANTUM 315r |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 70.270, 70.270, 92.470 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 25.860 - 1.100 |
| R-factor | 0.12495 |
| Rwork | 0.123 |
| R-free | 0.15176 |
| Structure solution method | MAD |
| Starting model (for MR) | NONE |
| RMSD bond length | 0.027 |
| RMSD bond angle | 2.280 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | SHELXD |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.500 | 1.160 |
| High resolution limit [Å] | 1.100 | 1.100 |
| Rmerge | 0.080 | 0.120 |
| Number of reflections | 108086 | |
| <I/σ(I)> | 7.5 | 4.2 |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 10.5 | 10.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 4.6 | 293 | 18-20% PEG 4000, 0.2 M AMMONIUM SULFATE AND 0.1 M SODIUM ACETATE PH 4.6 AT 20 DEGREES C |
