4K8L

Crystal structure of a putative 4-hydroxyproline epimerase/3-hydroxyproline dehydratse from the soil bacterium ochrobacterium anthropi, target efi-506495, disordered loops

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 31-ID
Synchrotron site	APS
Beamline	31-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2012-10-25
Detector	RAYONIX MX-225
Wavelength(s)	0.9793
Spacegroup name	I 2 2 2
Unit cell lengths	77.263, 78.329, 114.424
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.606 - 1.900
R-factor	0.1675
Rwork	0.165
R-free	0.20710
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1tm0
RMSD bond length	0.011
RMSD bond angle	1.349
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.20)
Phasing software	AMoRE
Refinement software	PHENIX (1.8.1_1168)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	64.635	28.606	2.000
High resolution limit [Å]	1.900	6.010	1.900
Rmerge	0.090	0.036	0.594
Total number of observations		5849	28890
Number of reflections	27674
<I/σ(I)>	11.9	17.2	1.3
Completeness [%]	99.8	94.9	100
Redundancy	7.2	6.5	7.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	298	Protein (15 mM Hepes, Reservoir MCSG2-C10 (0.2 M Sodium Nitrate, 20 %(w/v) PEG 3350) Cryoprotection (Reservoir+20% glycerol), pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K