4JUU

Crystal structure of a putative hydroxyproline epimerase from xanthomonas campestris (TARGET EFI-506516) with bound phosphate and unknown ligand

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	2013-03-06
Detector	RAYONIX MX225HE
Wavelength(s)	0.9793
Spacegroup name	P 21 21 21
Unit cell lengths	54.893, 108.749, 116.204
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.388 - 1.750
R-factor	0.1536
Rwork	0.152
R-free	0.18420
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4jbd
RMSD bond length	0.010
RMSD bond angle	1.260
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]	79.402	5.530	1.840
High resolution limit [Å]	1.750	3.910	1.750
Rmerge	0.074	0.029	0.725
Total number of observations		30211	72237
Number of reflections	70700
<I/σ(I)>	18	21.5	1.1
Completeness [%]	99.7	99.9	99.4
Redundancy	7.3	7.1	7.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	298	Protein (15 mM Hepes pH 8.0, 150 mM NaCl, 5% glycerol, 10 mM 4OH-PROLINE), Reservoir (0.1 M HEPES pH 7.5, 0.8 M Sodium Phosphate, 0.8 M Potassium Phosphate), Soak 2 minutes in (Reservoir + 20% Glycerol), VAPOR DIFFUSION, SITTING DROP, temperature 298K