5AA6
Homohexameric Structure of the second Vanadate-Dependent Bromoperoxidase (AnII) from Ascophyllum nodosum
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-2 |
| Synchrotron site | ESRF |
| Beamline | ID23-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-11-04 |
| Detector | MARMOSAIC 225 mm CCD |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 67.790, 236.840, 118.000 |
| Unit cell angles | 90.00, 93.74, 90.00 |
Refinement procedure
| Resolution | 70.000 - 2.260 |
| R-factor | 0.17317 |
| Rwork | 0.170 |
| R-free | 0.23592 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1qi9 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.486 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 65.000 | 2.380 |
| High resolution limit [Å] | 2.260 | 2.260 |
| Rmerge | 0.180 | 0.610 |
| Number of reflections | 170315 | |
| <I/σ(I)> | 7 | 2.3 |
| Completeness [%] | 98.7 | 98.7 |
| Redundancy | 4 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 291 | HANGING DROP AT 18 DEGREES C, 2 MICROL OF PROTEIN WITH 1 MICROL RESERVOIR SOLUTION, NACL 0.1 M, BIS-TRIS 0.01 M, PH 5.5 AND 25 % PEG 3350 |
