5HPJ
Photobacterium profundum alpha-carbonic anhydrase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-BM |
| Synchrotron site | APS |
| Beamline | 22-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-10-29 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.00 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 60.461, 60.461, 95.464 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 28.820 - 1.500 |
| R-factor | 0.1406 |
| Rwork | 0.139 |
| R-free | 0.16780 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4c3t |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.358 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.8.2_1309) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.530 |
| High resolution limit [Å] | 1.500 | 4.070 | 1.500 |
| Rmerge | 0.241 | 0.086 | |
| Rmeas | 0.256 | 0.091 | |
| Rpim | 0.115 | 0.030 | 0.850 |
| Total number of observations | 260731 | ||
| Number of reflections | 33011 | ||
| <I/σ(I)> | 6.8 | ||
| Completeness [%] | 100.0 | 99.6 | 100 |
| Redundancy | 7.9 | 8.3 | 6.4 |
| CC(1/2) | 0.998 | 0.408 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 291 | HEPES, PEG 4000 |
