4O8A

First structure of a proline utilization A proline dehydrogenase domain

Replaces:  1K87

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X8C
Synchrotron site	NSLS
Beamline	X8C
Temperature [K]	100
Detector technology	CCD
Collection date	2001-04-12
Detector	ADSC QUANTUM 4
Wavelength(s)	1.005
Spacegroup name	I 2 2 2
Unit cell lengths	72.620, 140.430, 145.850
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.487 - 2.000
R-factor	0.1893
Rwork	0.186
R-free	0.21860
Structure solution method	MIR
RMSD bond length	0.007
RMSD bond angle	1.071
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MLPHARE
Refinement software	PHENIX (1.8_1069)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	28.487	2.250
High resolution limit [Å]	2.000	2.000
Rmerge		0.400
Number of reflections	50208
<I/σ(I)>	20.1	2.7
Completeness [%]	99.0	97.9
Redundancy	5.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6	298	PEG 4000, SODIUM CITRATE, pH 6.0, VAPOR DIFFUSION, temperature 298K