4K7X

Crystal structure of a 4-hydroxyproline epimerase from burkholderia multivorans, target efi-506479, with bound phosphate, closed domains

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	2012-04-06
Detector	RAYONIX 225 HE
Wavelength(s)	0.9793
Spacegroup name	I 41 2 2
Unit cell lengths	114.885, 114.885, 173.699
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.779 - 1.750
R-factor	0.138
Rwork	0.137
R-free	0.15640
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4j9w
RMSD bond length	0.009
RMSD bond angle	1.268
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]	95.823	28.779	1.840
High resolution limit [Å]	1.750	5.530	1.750
Rmerge	0.130	0.041	0.699
Total number of observations		27683	113790
Number of reflections	58608
<I/σ(I)>	14.1	14.6	1.1
Completeness [%]	100.0	99.4	100
Redundancy	14.3	13.7	13.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.2	298	Protein (10 mM Tris, 150 mM NaCl, 5% glycerol, 5 mM BME, 20 mM pyrrole 2-carboxylate); Reservoir (0.1 M Phosphate-citrate, 1.6 M NaH2PO4/0.4 M K2HPO4 (MCSG2 E10)); Cryoprotection (Reservoir+20% glycerol), pH 4.2, VAPOR DIFFUSION, HANGING DROP, temperature 298K