6NJ7
11-BETA DEHYDROGENASE ISOZYME 1 IN COMPLEX WITH COLLETOIC ACID
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-07-01 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 57.022, 153.749, 74.051 |
| Unit cell angles | 90.00, 93.24, 90.00 |
Refinement procedure
| Resolution | 76.870 - 2.600 |
| R-factor | 0.215 |
| Rwork | 0.213 |
| R-free | 0.26400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3d5q |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.356 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0123) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 76.870 | 2.690 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Number of reflections | 38505 | |
| <I/σ(I)> | 2 | |
| Completeness [%] | 98.5 | 89.9 |
| Redundancy | 5.6 | 5.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 291 | THE 4 UL DROP CONTAINED 2 UL PROTEIN (25 MM TRIS, PH 8.0, 250 MM NACL, 4 MM CHAPS, 10 MG/ML PROTEIN) AND 2 UL WELL SOLUTION (100 MM MES, PH 6.5, 20 PEG 4000), VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 291K |
