4Q60

Crystal structure of a 4-hydroxyproline epimerase from Burkholderia Multivorans atcc 17616, target EFI-506586, open form, with bound pyrrole-2-carboxylate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X29A
Synchrotron site	NSLS
Beamline	X29A
Temperature [K]	100
Detector technology	CCD
Collection date	2014-03-17
Detector	ADSC QUANTUM 315
Spacegroup name	P 21 21 21
Unit cell lengths	82.749, 95.053, 126.275
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.100
R-factor	0.17019
Rwork	0.169
R-free	0.21488
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4k7x
RMSD bond length	0.007
RMSD bond angle	1.161
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0069)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.140
High resolution limit [Å]	2.100	2.100
Rmerge	0.100
Number of reflections	58519
<I/σ(I)>	19	1.6
Completeness [%]	99.9	98.7
Redundancy	7.2	6.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		8		PROTEIN (10 MM TRIS, 150 MM NACL, 5% GLYCEROL, 5 MM DTT); RESERVOIR (0.1 M IMIDAZOLE:HCL, PH 8.0, 1 M AMMONIUM PHOSPHATE DIBASIC (MCSG3 A4), CRYOPROTECTION: (RESERVOIR), VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 293K