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 |