3RR6
Structure of a putative uncharacterized protein from Mycobacterium abscessus ATCC 19977 / DSM 44196
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.3 |
Synchrotron site | ALS |
Beamline | 5.0.3 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-04-10 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1.0 |
Spacegroup name | I 21 21 21 |
Unit cell lengths | 55.140, 94.951, 173.408 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 41.780 - 1.580 |
R-factor | 0.1662 |
Rwork | 0.165 |
R-free | 0.18330 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3qdf |
RMSD bond length | 0.008 |
RMSD bond angle | 1.316 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER (2.1.4) |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.610 |
High resolution limit [Å] | 1.580 | 4.290 | 1.580 |
Rmerge | 0.086 | 0.040 | 0.526 |
Number of reflections | 62342 | ||
<I/σ(I)> | 10.5 | ||
Completeness [%] | 99.9 | 99.7 | 98.4 |
Redundancy | 6.4 | 6.3 | 5.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 289 | 20% PEG 3350, 200mM potassium citrate, 29.18 mg/ml, cryoprotected with 25% ethylene glycol, pH 7, VAPOR DIFFUSION, SITTING DROP, temperature 289K |