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1GKX

Branched-chain alpha-ketoacid dehydrogenase kinase (BCK)

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsAPS BEAMLINE 19-ID
Synchrotron siteAPS
Beamline19-ID
Temperature [K]100
Detector technologyCCD
Collection date2001-06-15
DetectorSBC-CAT
Spacegroup nameP 42 21 2
Unit cell lengths129.370, 129.370, 73.350
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution35.500

*

- 2.980

*

R-factor0.243

*

Rwork0.241
R-free0.27200

*

Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)BRANCHED-CHAIN ALPHA-KETOACID DEHYDROGENASE KINASE (BCK) COMPLEXED WITH ATP-GAMMA-S
RMSD bond length0.010

*

RMSD bond angle1.500

*

Data reduction softwareHKL-2000
Data scaling softwareHKL-2000
Phasing softwareCNS (1.0)
Refinement softwareCNS (1.1)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]35.500

*

2.340
High resolution limit [Å]2.980

*

2.980

*

Rmerge0.023

*

0.785

*

Number of reflections27710
<I/σ(I)>291.8
Completeness [%]99.4

*

94.5

*

Redundancy8.2

*

7.6

*

Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION7.520

*

VAPOR DIFFUSION, 20C, EQUAL AMOUNTS OF BCK (20 MG/ML IN 50 MM HEPES, PH 7.5, 1 M SODIUM CHLORIDE, 250 MM POTASSIUM CHLORIDE, 300 MM ARGININE, 20 MM BETA- MERCAPTOETHANOL, 2 MM BENZAMIDINE, 2 MM MAGNESIUM CHLORIDE, 0.5 MM PMSF, 10% (W/V) GLYCEROL) AND RESERVOIR (8%(W/V) PEG-6000, 5% (V/V) ETHYLENE GLYCOL, 1 M NACL, 20 MM BETA-MERCAPTOETHANOL)
Crystallization Reagents in Literatures
IDcrystal IDsolutionreagent nameconcentration (unit)details
11dropprotein20 (mg/ml)
101dropglycerol10 (%(v/v))
111reservoirPEG60008 (%(w/v))
121reservoirethylene glycol5 (%(v/v))
131reservoir1 (M)
141reservoirbeta-mercaptoethanol20 (mM)
21dropHEPES50 (mM)
31drop1 (M)
41drop250 (mM)
51droparginine300 (mM)
61dropbeta-mercaptoethanol20 (mM)
71dropbenzamidine1 (mM)
81drop2 (mM)
91dropPMSF0.5 (mM)

217705

PDB entries from 2024-03-27

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