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1NFG

Structure of D-hydantoinase

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeROTATING ANODE
Source detailsRIGAKU ULTRAX 18
Temperature [K]93
Detector technologyIMAGE PLATE
Collection date2002-07-11
DetectorRIGAKU RAXIS IV++
Wavelength(s)1.5418
Spacegroup nameP 1 21 1
Unit cell lengths68.700, 170.500, 87.300
Unit cell angles90.00, 95.20, 90.00
Refinement procedure
Resolution15.000

*

- 2.700
R-factor0.221
Rwork0.220
R-free0.23900
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)1gkq
RMSD bond length0.007
RMSD bond angle1.400
Data reduction softwareCrystalClear ((MSC/RIGAKU))
Data scaling softwareCrystalClear ((MSC/RIGAKU))
Phasing softwareCNS
Refinement softwareCNS
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]15.0002.790
High resolution limit [Å]2.7002.700
Rmerge0.0950.237
Total number of observations139372

*

Number of reflections53883
<I/σ(I)>73
Completeness [%]98.596.8
Redundancy2.62.5
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP8

*

4

*

16% PEG6000, 0.1M Bicine, 0.005M CdCl2, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Crystallization Reagents in Literatures
IDcrystal IDsolutionreagent nameconcentration (unit)details
11dropTris-HCl20 (mM)pH8.0
21dropimidazole50 (mM)
31drop100 (mM)
41dropprotein15 (mg/ml)
51reservoirPEG600016 (%)
61reservoirBicine0.1 (M)
71reservoir0.005 (M)pH8.5

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