4JD7

Crystal structure of pput_1285, a putative hydroxyproline epimerase from Pseudomonas putida f1 (target EFI-506500), open form, space group P212121, bound sulfate

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	2013-02-14
Detector	RAYONIX MX225HE
Wavelength(s)	0.9793
Spacegroup name	P 21 21 21
Unit cell lengths	64.844, 96.804, 109.214
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	72.443 - 1.500
R-factor	0.1603
Rwork	0.159
R-free	0.17550
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2azp
RMSD bond length	0.009
RMSD bond angle	1.325
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]	72.443	109.214	1.580
High resolution limit [Å]	1.500	4.740	1.500
Rmerge	0.067	0.026	0.707
Total number of observations		25457	111979
Number of reflections	109888
<I/σ(I)>	18	20	1.1
Completeness [%]	99.5	98.7	98.9
Redundancy	7.3	6.8	7.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	Protein (15 mM Hepes pH 8.0, 150 mM NaCl, 5% glycerol, 10 mM PYRROLE-2-CARBOXYLATE); Reservoir (0.1 M NaAcetate pH 4.6, 1.5 M LiSO4); Soak 2 minutes in (2.0 M LiSO4 with 20% reservoir), VAPOR DIFFUSION, SITTING DROP, temperature 298K