4AAJ
Structure of N-(5'-phosphoribosyl)anthranilate isomerase from Pyrococcus furiosus
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 | 2009-09-25 |
| Detector | ADSC QUANTUM 315r |
| Spacegroup name | P 61 |
| Unit cell lengths | 105.510, 105.510, 34.460 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 20.000 - 1.750 |
| R-factor | 0.22077 |
| Rwork | 0.219 |
| R-free | 0.25761 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1lbm |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.103 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.790 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Rmerge | 0.040 | 0.590 |
| Number of reflections | 22537 | |
| <I/σ(I)> | 22.68 | 2.85 |
| Completeness [%] | 99.9 | 98.8 |
| Redundancy | 6.5 | 5.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.5 | VAPOR DIFFUSION SITTING DROP, PROTEIN 10MG/ML IN 20 MM MES PH 6.0 MIXED 1:1 WITH 1.8 M AMMONIUM SULPHATE IN 0.1 M SODIUM ACETATE BUFFER, PH 4.5. |
