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1HE4

Human biliverdin IX beta reductase: NADP/FMN ternary complex

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsESRF BEAMLINE ID14-3
Synchrotron siteESRF
BeamlineID14-3
Temperature [K]100
Collection date2000-05-15
Spacegroup nameP 21 21 21
Unit cell lengths40.100, 49.300, 106.900
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution20.000 - 1.400
R-factor0.134
R-free0.18000
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)1hdo
RMSD bond length0.008
RMSD bond angle0.023
Data reduction softwareDENZO
Data scaling softwareSCALEPACK
Phasing softwareAMoRE
Refinement softwareSHELXL-97
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]44.7001.480
High resolution limit [Å]1.4001.400
Rmerge0.0540.182
Total number of observations255020

*

Number of reflections42072
<I/σ(I)>7.7
Completeness [%]98.995
Redundancy6.1
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1Vapor diffusion

*

6.530% PEG 3350, 0.2 M AMMONIUM SULFATE, 0.1 M SODIUM CACODYLATE PH 6.5. NADP ADDED TO A FINAL CONCENTRATION OF 2.5 MM
Crystallization Reagents in Literatures
IDcrystal IDsolutionreagent nameconcentration (unit)details
11dropprotein6.7 (mg/ml)
21dropNADP2.5 (mM)
31dropPEG80005 (%(w/v))
41dropammonium sulfate0.03 (M)
51dropsodium cacodylate0.02 (M)

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PDB entries from 2024-03-27

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