1NBM
THE STRUCTURE OF BOVINE F1-ATPASE COVALENTLY INHIBITED WITH 4-CHLORO-7-NITROBENZOFURAZAN
Experimental procedure
Source type | SYNCHROTRON |
Source details | SRS BEAMLINE PX9.6 |
Synchrotron site | SRS |
Beamline | PX9.6 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 1997-05-12 |
Detector | MARRESEARCH |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 281.000, 106.600, 138.800 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 6.000 - 3.000 |
R-factor | 0.207 |
Rwork | 0.207 |
R-free | 0.29700 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | ALUMINUM FLUORIDE INHIBITED FORM OF BOVINE MITOCHONDRIAL F1-ATPASE |
RMSD bond length | 0.005 |
RMSD bond angle | 22.176 * |
Data reduction software | MOSFLM |
Data scaling software | CCP4 ((SCALA)) |
Phasing software | CCP4 |
Refinement software | X-PLOR (3.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 3.160 |
High resolution limit [Å] | 3.000 | 3.000 |
Rmerge | 0.088 | 0.304 |
Number of reflections | 70240 | |
<I/σ(I)> | 10.1 | 3.4 |
Completeness [%] | 97.2 | 98 |
Redundancy | 2.5 | 2.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Microdialysis * | 7.2 * | 23 * | 50MM TRIS-HCL, PH7.5, 200MM SODIUM CHLORIDE, 20MM MAGNESIUM SULPHATE, 1MM EDTA, 0.002% (W/V) PHENYL METHYLSULPHONYL FLUORIDE, 0.02%(W/V) SODIUM AZIDE, 10.5% (W/V) PEG MME 5000, 250UM AMP-PNP AND 5UM ADP. |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | 1 | protein | 10 (mg/ml) | |
10 | 1 | 2 | Tris-HCl | 50 (mM) | |
11 | 1 | 2 | 200 (mM) | ||
12 | 1 | 2 | EDTA | 1 (mM) | |
13 | 1 | 2 | magnesium sulphate | 20 (mM) | |
14 | 1 | 2 | sodium azide | 0.02 (%(w/v)) | |
15 | 1 | 2 | phenylmethylsulphonyl fluoride | 0.002 (%(w/v)) | |
2 | 1 | 1 | Tris-HCl | 100 (mM) | |
3 | 1 | 1 | 400 (mM) | ||
4 | 1 | 1 | 4 (mM) | ||
5 | 1 | 1 | sodium azide | 0.04 (%(w/v)) | |
6 | 1 | 1 | phenylmethylsulphonyl fluoride | 0.004 (%(w/v)) | |
7 | 1 | 1 | PEG MME5000 | 12 (%(w/v)) | |
8 | 1 | 1 | AMP-PNP | 2 (mM) | |
9 | 1 | 1 | ADP | 0.040 (mM) |